cantera API Reference
Full documentation for cantera (3.2.0)
cantera.AdaptivePreconditioner
Python Library Documentation: class AdaptivePreconditioner in module cantera.jacobians class AdaptivePreconditioner(EigenSparseJacobian) | Method resolution order: | AdaptivePreconditioner | EigenSparseJacobian | SystemJacobian | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | ilut_drop_tol | Property setting the linear solvers drop tolerance. | | During factorization any element below the product of the drop tolerance and | average magnitude is dropped. | | Update the ILUT drop tolerance to a desired value as: | >>> precon.ilut_drop_tol = 1e-10 | | Default is 1e-10. | | ilut_fill_factor | Property setting the linear solvers fill factor. | | During factorization, after row elimination, only some of the largest elements | in the L and U in addition to the diagonal element are kept. The number of | elements kept is computed from the fill factor (a ratio) relative to the initial | number of nonzero elements. | | Update the ILUT fill factor to a desired value as: | >>> precon.ilut_fill_factor = 2 | | Default is the state size divided by 4. | | threshold | The threshold of the preconditioner is used to remove or prune any off diagonal | elements below the given value inside of the preconditioner. In other words, | after the preconditioner is formed by P = (I - gamma * Jac), the off diagonal | values within P are compared with the threshold and removed if below it. | | The goal of thresholding is to improve matrix sparsity while still providing a | good preconditioner for the system. | | Update the threshold to a desired value as: | >>> precon.threshold = 1e-8 | | Default is 0.0. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | linear_solver_type = 'GMRES' | | ---------------------------------------------------------------------- | Methods inherited from EigenSparseJacobian: | | print_contents(self) | | ---------------------------------------------------------------------- | Data descriptors inherited from EigenSparseJacobian: | | jacobian | Property to retrieve the latest Jacobian. | | matrix | Property to retrieve the latest internal preconditioner matrix. | | ---------------------------------------------------------------------- | Data descriptors inherited from SystemJacobian: | | side | Get/Set the side of the system matrix where the preconditioner is applied. | Options are "none", "left", "right", or "both". Not all options are supported | by all solver types.
cantera.AnyMap
Python Library Documentation: class AnyMap in module cantera._utils class AnyMap(builtins.dict) | A key-value store representing objects defined in Cantera's YAML input format. | | Extends the capabilities of a normal `dict` object by providing functions for | converting values between different unit systems. See :ref:`sec-yaml-units` for | details on how units are handled in YAML input files. | | Method resolution order: | AnyMap | builtins.dict | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | convert(self, key, dest) | Convert the value corresponding to the specified *key* to the units defined by | *dest*. *dest* may be a string or a `Units` object. | | convert_activation_energy(self, key, dest) | Convert the value corresponding to the specified *key* to the units defined by | *dest*. *dest* may be a string or a `Units` object defining units that are | interpretable as an activation energy. | | convert_rate_coeff(self, key, dest) | Convert the value corresponding to the specified *key* to the units defined by | *dest*, with special handling for `UnitStack` input and potentially-undefined | rate coefficient units. | | default_units(self) | | set_activation_energy(self, key, value, src) | Set the element *key* of this map to the specified value, converting from the | activation energy units defined by *src* to the correct unit system for this map | when serializing to YAML. | | set_quantity(self, key, value, src) | Set the element *key* of this map to the specified value, converting from the | units defined by *src* to the correct unit system for this map when serializing | to YAML. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | units | Get the `UnitSystem` applicable to this `AnyMap`. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | ---------------------------------------------------------------------- | Methods inherited from builtins.dict: | | __contains__(self, key, /) | True if the dictionary has the specified key, else False. | | __delitem__(self, key, /) | Delete self[key]. | | __eq__(self, value, /) | Return self==value. | | __ge__(self, value, /) | Return self>=value. | | __getattribute__(self, name, /) | Return getattr(self, name). | | __getitem__(self, key, /) | Return self[key]. | | __gt__(self, value, /) | Return self>value. | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | __ior__(self, value, /) | Return self|=value. | | __iter__(self, /) | Implement iter(self). | | __le__(self, value, /) | Return self<=value. | | __len__(self, /) | Return len(self). | | __lt__(self, value, /) | Return self<value. | | __ne__(self, value, /) | Return self!=value. | | __or__(self, value, /) | Return self|value. | | __repr__(self, /) | Return repr(self). | | __reversed__(self, /) | Return a reverse iterator over the dict keys. | | __ror__(self, value, /) | Return value|self. | | __setitem__(self, key, value, /) | Set self[key] to value. | | __sizeof__(...) | D.__sizeof__() -> size of D in memory, in bytes | | clear(...) | D.clear() -> None. Remove all items from D. | | copy(...) | D.copy() -> a shallow copy of D | | get(self, key, default=None, /) | Return the value for key if key is in the dictionary, else default. | | items(...) | D.items() -> a set-like object providing a view on D's items | | keys(...) | D.keys() -> a set-like object providing a view on D's keys | | pop(...) | D.pop(k[,d]) -> v, remove specified key and return the corresponding value. | | If the key is not found, return the default if given; otherwise, | raise a KeyError. | | popitem(self, /) | Remove and return a (key, value) pair as a 2-tuple. | | Pairs are returned in LIFO (last-in, first-out) order. | Raises KeyError if the dict is empty. | | setdefault(self, key, default=None, /) | Insert key with a value of default if key is not in the dictionary. | | Return the value for key if key is in the dictionary, else default. | | update(...) | D.update([E, ]**F) -> None. Update D from dict/iterable E and F. | If E is present and has a .keys() method, then does: for k in E: D[k] = E[k] | If E is present and lacks a .keys() method, then does: for k, v in E: D[k] = v | In either case, this is followed by: for k in F: D[k] = F[k] | | values(...) | D.values() -> an object providing a view on D's values | | ---------------------------------------------------------------------- | Class methods inherited from builtins.dict: | | __class_getitem__(...) | See PEP 585 | | fromkeys(iterable, value=None, /) | Create a new dictionary with keys from iterable and values set to value. | | ---------------------------------------------------------------------- | Data and other attributes inherited from builtins.dict: | | __hash__ = None
cantera.Arrhenius
Python Library Documentation: class Arrhenius in module cantera.reaction
class Arrhenius(builtins.object)
| A reaction rate coefficient which depends on temperature only and follows
| the modified Arrhenius form:
|
| .. math::
|
| k_f = A T^b \exp(-\tfrac{E}{RT})
|
| where ``A`` is the `pre_exponential_factor`, ``b`` is the `temperature_exponent`,
| and ``E`` is the `activation_energy`.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Use class `ArrheniusRate` instead.
|
| Methods defined here:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
cantera.ArrheniusRate
Python Library Documentation: class ArrheniusRate in module cantera.reaction
class ArrheniusRate(ArrheniusRateBase)
| A reaction rate coefficient which depends on temperature only and follows
| the modified Arrhenius form:
|
| .. math::
|
| k_f = A T^b \exp(-\tfrac{E_a}{RT})
|
| where ``A`` is the
| `pre_exponential_factor <ArrheniusRateBase.pre_exponential_factor>`, ``b`` is the
| `temperature_exponent <ArrheniusRateBase.temperature_exponent>`, and ``Ea`` is the
| `activation_energy <ArrheniusRateBase.activation_energy>`.
|
| Method resolution order:
| ArrheniusRate
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.ArrheniusRateBase
Python Library Documentation: class ArrheniusRateBase in module cantera.reaction
class ArrheniusRateBase(ReactionRate)
| Base class collecting commonly used features of Arrhenius-type rate objects.
| Objects should be instantiated by specialized classes, for example `ArrheniusRate`,
| `BlowersMaselRate` and `TwoTempPlasmaRate`.
|
| Method resolution order:
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.AxisymmetricFlow
Python Library Documentation: class AxisymmetricFlow in module cantera._onedim
class AxisymmetricFlow(FlowBase)
| An axisymmetric flow domain. The equations solved are the similarity equations for
| the flow in a finite-height gap of infinite radial extent. The solution variables
| are:
|
| *velocity*
| axial velocity
| *spread_rate*
| radial velocity divided by radius
| *T*
| temperature
| *lambda*
| :math:`(1/r)(dP/dr)`
| *Y_k*
| species mass fractions
|
| It may be shown that if the boundary conditions on these variables are independent
| of radius, then a similarity solution to the exact governing equations exists in
| which these variables are all independent of radius. This solution holds only in
| the low-Mach-number limit, in which case :math:`(dP/dz) = 0`, and :math:`\Lambda` is
| a constant. (Lambda is treated as a spatially-varying solution variable for
| numerical reasons, but in the final solution it is always independent of :math:`z`.)
| As implemented here, the governing equations assume an ideal gas mixture. Arbitrary
| chemistry is allowed, as well as arbitrary variation of the transport properties.
|
| Method resolution order:
| AxisymmetricFlow
| FlowBase
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from FlowBase:
|
| __getattr__(...)
|
| __getattribute__(self, name, /)
| Return getattr(self, name).
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| get_settings3(self)
| Temporary method returning new behavior of settings getter.
|
| .. versionadded:: 3.0
|
| set_axisymmetric_flow(self)
| Set flow configuration for axisymmetric counterflow or burner-stabilized
| flames, using specified inlet mass fluxes.
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_fixed_temp_profile(self, pos, T)
| Set the fixed temperature profile. This profile is used
| whenever the energy equation is disabled.
|
| :param pos:
| array of relative positions from 0 to 1
| :param temp:
| array of temperature values
|
| >>> d.set_fixed_temp_profile(array([0.0, 0.5, 1.0]),
| ... array([500.0, 1500.0, 2000.0])
|
| set_free_flow(self)
| Set flow configuration for freely-propagating flames, using an internal
| point with a fixed temperature as the condition to determine the inlet
| mass flux.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlowBase:
|
| P
| Pressure [Pa]
|
| T
| Array containing the temperature [K] at each grid point.
|
| .. versionadded:: 3.2
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| .. versionadded:: 3.2
|
| electric_field_enabled
| Determines whether or not to solve the electric field equation (only relevant
| if transport model is ``ionized-gas``).
|
| energy_enabled
| Determines whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| oxidizer_velocity
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| .. versionchanged:: 3.2
|
| radial_pressure_gradient
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code and is only
| defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| radiation_enabled
| Determines whether or not to include radiative heat transfer
|
| radiative_heat_loss
| Return radiative heat loss (only non-zero if radiation is enabled).
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| solving_stage
| Solving stage mode for handling ionized species (only relevant if transport
| model is ``ionized-gas``):
|
| - ``stage == 1``: the fluxes of charged species are set to zero
| - ``stage == 2``: the electric field equation is solved, and the drift flux for
| ionized species is evaluated
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Use the `electric_field_enabled` property
| instead.
|
| soret_enabled
| Determines whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option only works for multicomponent and
| mixture-averaged diffusion models.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point. Note: This value is named
| ``spreadRate`` in the C++ code and is only defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| transport_model
| Get/set the transport model used for calculating transport properties.
|
| .. versionadded:: 3.0
|
| two_point_control_enabled
| Get/Set the state of the two-point flame control
|
| type
| Return the type of flow domain being represented.
|
| Examples:
| - ``free-flow``/``free-ion-flow``,
| - ``axisymmetric-flow``/``axisymmetric-ion-flow``,
| - ``unstrained-flow``/``unstrained-ion-flow``
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.BandedJacobian
Python Library Documentation: class BandedJacobian in module cantera.jacobians class BandedJacobian(SystemJacobian) | A system matrix solver that uses a direct banded linear solver. Wraps C++ | class :ct:`MultiJac`. | | Method resolution order: | BandedJacobian | SystemJacobian | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | linear_solver_type = 'direct' | | ---------------------------------------------------------------------- | Data descriptors inherited from SystemJacobian: | | side | Get/Set the side of the system matrix where the preconditioner is applied. | Options are "none", "left", "right", or "both". Not all options are supported | by all solver types.
cantera.BlowersMaselRate
Python Library Documentation: class BlowersMaselRate in module cantera.reaction
class BlowersMaselRate(ArrheniusRateBase)
| A reaction rate coefficient which depends on temperature and enthalpy change
| of the reaction follows the Blowers-Masel approximation and modified Arrhenius form
| described in `ArrheniusRate`.
|
| Method resolution order:
| BlowersMaselRate
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| bond_energy
| Average bond dissociation energy of the bond being formed and broken
| in the reaction ``E`` [J/kmol].
|
| delta_enthalpy
| Enthalpy change of reaction ``deltaH`` [J/kmol]
|
| The enthalpy change of reaction is a function of temperature and thus not
| an independent property. Accordingly, the setter should be only used for
| testing purposes, as any value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.Boundary1D
Python Library Documentation: class Boundary1D in module cantera._onedim
class Boundary1D(Domain1D)
| Base class for boundary domains.
|
| :param phase:
| The (gas) phase corresponding to the adjacent flow domain
|
| Method resolution order:
| Boundary1D
| Domain1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| T
| The temperature [K] at this boundary.
|
| X
| Species mole fractions at this boundary. May be set as either a string
| or as an array.
|
| Y
| Species mass fractions at this boundary. May be set as either a string
| or as an array.
|
| mdot
| The mass flow rate per unit area [kg/s/m²]
|
| spread_rate
| Get/set the tangential velocity gradient [1/s] at this boundary.
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.BurnerFlame
Python Library Documentation: class BurnerFlame in module cantera.onedim
class BurnerFlame(FlameBase)
| BurnerFlame(gas, grid=None, width=None)
|
| A burner-stabilized flat flame.
|
| Method resolution order:
| BurnerFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on a fixed grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `UnstrainedFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.burner``, ``self.flame``, and ``self.outlet``.
|
| set_initial_guess(self, data=None, group=None)
| Set the initial guess for the solution. By default, the adiabatic flame
| temperature and equilibrium composition are computed for the burner
| gas composition. The temperature profile rises linearly in the first
| 20% of the flame to Tad, then is flat. The mass fraction profiles are
| set similarly. Alternatively, a previously calculated result can be
| supplied as an initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| solve(self, loglevel=1, refine_grid=True, auto=False, stage=None)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
| :param stage: solution stage; only used when transport model is ``ionized-gas``.
|
| .. deprecated:: 3.2
|
| The ``stage`` argument will be removed after Cantera 3.2. Replaced by
| setting the `electric_field_enabled` property.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| burner
|
| flame
|
| outlet
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.CanteraError
Python Library Documentation: class CanteraError in module cantera._utils class CanteraError(builtins.RuntimeError) | Method resolution order: | CanteraError | builtins.RuntimeError | builtins.Exception | builtins.BaseException | builtins.object | | Static methods defined here: | | set_stack_trace_depth(depth) | Set the number of stack frames to include when a `CanteraError` is displayed. By | default, or if the depth is set to 0, no stack information will be shown. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | __weakref__ | list of weak references to the object | | ---------------------------------------------------------------------- | Methods inherited from builtins.RuntimeError: | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | ---------------------------------------------------------------------- | Static methods inherited from builtins.RuntimeError: | | __new__(*args, **kwargs) class method of builtins.RuntimeError | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Methods inherited from builtins.BaseException: | | __getattribute__(self, name, /) | Return getattr(self, name). | | __reduce__(...) | Helper for pickle. | | __repr__(self, /) | Return repr(self). | | __setstate__(...) | | __str__(self, /) | Return str(self). | | add_note(...) | Exception.add_note(note) -- | add a note to the exception | | with_traceback(...) | Exception.with_traceback(tb) -- | set self.__traceback__ to tb and return self. | | ---------------------------------------------------------------------- | Data descriptors inherited from builtins.BaseException: | | __cause__ | exception cause | | __context__ | exception context | | __dict__ | | __suppress_context__ | | __traceback__ | | args
cantera.CarbonDioxide
Python Library Documentation: function CarbonDioxide in module cantera.liquidvapor
CarbonDioxide() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for carbon dioxide.
The object returned by this method implements an accurate equation of
state for carbon dioxide that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances.* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::CarbonDioxide` in
the Cantera C++ source code documentation.
cantera.ChebyshevRate
Python Library Documentation: class ChebyshevRate in module cantera.reaction
class ChebyshevRate(ReactionRate)
| A pressure-dependent reaction rate parameterized by a bivariate Chebyshev polynomial
| in temperature and pressure.
|
| Method resolution order:
| ChebyshevRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and pressure.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| data
| 2D array of Chebyshev coefficients where rows and columns correspond to
| temperature and pressure dimensions over which the Chebyshev fit is computed.
|
| n_pressure
| Number of pressures over which the Chebyshev fit is computed
| (same as number of columns of `data` property).
|
| n_temperature
| Number of temperatures over which the Chebyshev fit is computed.
| (same as number of rows of `data` property).
|
| pressure_range
| Valid pressure range [Pa] for the Chebyshev fit
|
| temperature_range
| Valid temperature range [K] for the Chebyshev fit
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.ConnectorNode
Python Library Documentation: class ConnectorNode in module cantera.reactor class ConnectorNode(builtins.object) | Common base class for walls and flow devices. | | Methods defined here: | | __copy__(self) | | __reduce__(self) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | edge_attr | A dictionary containing draw attributes for the representation of the `WallBase` as | a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable | attributes. | | .. versionadded:: 3.1 | | name | The name of the connector. | | type | The type of the connector. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | node_type = 'none'
cantera.ConstPressureMoleReactor
Python Library Documentation: class ConstPressureMoleReactor in module cantera.reactor
class ConstPressureMoleReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor with a mole based
| state vector. The volume of the reactor changes as a function of time in order to
| keep the pressure constant.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ConstPressureMoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ConstPressureReactor
Python Library Documentation: class ConstPressureReactor in module cantera.reactor
class ConstPressureReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor. The volume
| of the reactor changes as a function of time in order to keep the
| pressure constant.
|
| Method resolution order:
| ConstPressureReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ConstantCp
Python Library Documentation: class ConstantCp in module cantera.speciesthermo
class ConstantCp(SpeciesThermo)
| Thermodynamic properties for a species that has a constant specific heat
| capacity. This is a wrapper for the C++ class :ct:`ConstCpPoly`.
|
| :param coeffs:
| An array of 4 elements:
|
| - `coeffs[0]` = :math:`T_0` [K]
| - `coeffs[1]` = :math:`H^o(T_0, p_{ref})` [J/kmol]
| - `coeffs[2]` = :math:`S^o(T_0, p_{ref})` [J/kmol-K]
| - `coeffs[3]` = :math:`c_p^o(T_0, p_{ref})` [J/kmol-K]
|
| Method resolution order:
| ConstantCp
| SpeciesThermo
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| derived_type = 1
|
| ----------------------------------------------------------------------
| Methods inherited from SpeciesThermo:
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| cp(self, T)
| Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*.
|
| h(self, T)
| Molar enthalpy [J/kmol] at temperature *T*
|
| s(self, T)
| Molar entropy [J/kmol/K] at temperature *T*
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SpeciesThermo:
|
| coeffs
| Array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| input_data
| Get input data defining this SpeciesThermo object, along with any user-specified
| data provided with its input (YAML) definition.
|
| max_temp
| Maximum temperature [K] at which the parameterization is valid.
|
| min_temp
| Minimum temperature [K] at which the parameterization is valid.
|
| n_coeffs
| Number of parameters for the parameterization.
|
| reference_pressure
| Reference pressure [Pa] for the parameterization.
cantera.CounterflowDiffusionFlame
Python Library Documentation: class CounterflowDiffusionFlame in module cantera.onedim
class CounterflowDiffusionFlame(FlameBase)
| CounterflowDiffusionFlame(gas, grid=None, width=None)
|
| A counterflow diffusion flame
|
| Method resolution order:
| CounterflowDiffusionFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on a fixed grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.fuel_inlet``, ``self.flame``, and ``self.oxidizer_inlet``.
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| mixture_fraction(self, m)
| Compute the mixture fraction based on element ``m`` or from the
| Bilger mixture fraction by setting ``m="Bilger"``
|
| The mixture fraction is computed from the elemental mass fraction of
| element ``m``, normalized by its values on the fuel and oxidizer
| inlets:
|
| .. math:: Z = \frac{Z_{\mathrm{mass},m}(z) -
| Z_{\mathrm{mass},m}(z_\mathrm{oxidizer})}
| {Z_{\mathrm{mass},m}(z_\mathrm{fuel}) -
| Z_{\mathrm{mass},m}(z_\mathrm{oxidizer})}
|
| or from the Bilger mixture fraction:
|
| .. math:: Z = \frac{\beta-\beta_{\mathrm{oxidizer}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{oxidizer}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}
| +\frac{1}{2}\frac{Z_H}{M_H}-\frac{Z_O}{M_O}
|
| :param m:
| The element based on which the mixture fraction is computed,
| may be specified by name or by index, or "Bilger" for the
| Bilger mixture fraction, which considers the elements C,
| H, S, and O
|
| >>> f.mixture_fraction('H')
| >>> f.mixture_fraction('Bilger')
|
| set_initial_guess(self, data=None, group=None)
| Set the initial guess for the solution. By default, the initial guess
| is generated by assuming infinitely-fast chemistry. Alternatively, a
| previously calculated result can be supplied as an initial guess via
| 'data' and 'key' inputs (see `FlameBase.set_initial_guess`).
|
| solve(self, loglevel=1, refine_grid=True, auto=False, stage=None)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
| :param stage: solution stage; only used when transport model is ``ionized-gas``.
|
| .. deprecated:: 3.2
|
| The ``stage`` argument will be removed after Cantera 3.2. Replaced by
| setting the `electric_field_enabled` property.
|
| strain_rate(self, definition, fuel=None, oxidizer='O2', stoich=None)
| Return the axial strain rate of the counterflow diffusion flame in 1/s.
|
| :param definition:
| The definition of the strain rate to be calculated. Options are:
| ``mean``, ``max``, ``stoichiometric``, ``potential_flow_fuel``, and
| ``potential_flow_oxidizer``.
| :param fuel: The fuel species. Used only if ``definition`` is
| ``stoichiometric``.
| :param oxidizer: The oxidizer species, default ``O2``. Used only if
| ``definition`` is ``stoichiometric``.
| :param stoich: The molar stoichiometric oxidizer-to-fuel ratio.
| Can be omitted if the oxidizer is ``O2``. Used only if ``definition``
| is ``stoichiometric``.
|
| The parameter ``definition`` sets the method to compute the strain rate.
| Possible options are:
|
| ``mean``:
| The mean axial velocity gradient in the entire domain
|
| .. math:: a_{mean} = \left| \frac{\Delta u}{\Delta z} \right|
|
| ``max``:
| The maximum axial velocity gradient
|
| .. math:: a_{max} = \max \left( \left| \frac{du}{dz} \right| \right)
|
| ``stoichiometric``:
| The axial velocity gradient at the stoichiometric surface.
|
| .. math::
|
| a_{stoichiometric} = \left| \left. \frac{du}{dz}
| \right|_{\phi=1} \right|
|
| This method uses the additional keyword arguments ``fuel``,
| ``oxidizer``, and ``stoich``.
|
| >>> f.strain_rate('stoichiometric', fuel='H2', oxidizer='O2',
| stoich=0.5)
|
| ``potential_flow_fuel``:
| The corresponding axial strain rate for a potential flow boundary
| condition at the fuel inlet.
|
| .. math:: a_{f} = \sqrt{-\frac{\Lambda}{\rho_{f}}}
|
| ``potential_flow_oxidizer``:
| The corresponding axial strain rate for a potential flow boundary
| condition at the oxidizer inlet.
|
| .. math:: a_{o} = \sqrt{-\frac{\Lambda}{\rho_{o}}}
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| equivalence_ratio
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| fuel_inlet
|
| oxidizer_inlet
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.CounterflowPremixedFlame
Python Library Documentation: class CounterflowPremixedFlame in module cantera.onedim
class CounterflowPremixedFlame(FlameBase)
| CounterflowPremixedFlame(gas, grid=None, width=None)
|
| A premixed counterflow flame
|
| Method resolution order:
| CounterflowPremixedFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| Array of initial grid points. Not recommended unless solving only on
| a fixed grid; Use the `width` parameter instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.reactants``, ``self.flame``, and ``self.products``.
|
| set_initial_guess(self, equilibrate=True, data=None, group=None)
| Set the initial guess for the solution.
|
| If `equilibrate` is True, then the products composition and temperature
| will be set to the equilibrium state of the reactants mixture.
| Alternatively, a previously calculated result can be supplied as an
| initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| products
|
| reactants
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.CounterflowTwinPremixedFlame
Python Library Documentation: class CounterflowTwinPremixedFlame in module cantera.onedim
class CounterflowTwinPremixedFlame(FlameBase)
| CounterflowTwinPremixedFlame(gas, grid=None, width=None)
|
| A twin premixed counterflow flame. Two opposed jets of the same composition
| shooting into each other.
|
| Method resolution order:
| CounterflowTwinPremixedFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| Array of initial grid points. Not recommended unless solving only on
| a fixed grid; Use the `width` parameter instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.reactants``, ``self.flame``, and ``self.products``.
|
| set_initial_guess(self, data=None, group=None)
| Set the initial guess for the solution based on an equilibrium solution.
| Alternatively, a previously calculated result can be supplied as an
| initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| products
|
| reactants
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.CustomRate
Python Library Documentation: class CustomRate in module cantera.reaction
class CustomRate(ReactionRate)
| A custom rate coefficient which depends on temperature only.
|
| The simplest way to create a `CustomRate` object is to use a lambda function,
| for example::
|
| rr = CustomRate(lambda T: 38.7 * T**2.7 * exp(-3150.15/T))
|
| .. warning::
|
| This class is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Method resolution order:
| CustomRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| set_rate_function(self, k)
| Set the function describing a custom reaction rate::
|
| rr = CustomRate()
| rr.set_rate_function(lambda T: 38.7 * T**2.7 * exp(-3150.15/T))
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.CythonPackageMetaPathFinder
Python Library Documentation: class CythonPackageMetaPathFinder in module cantera._cantera class CythonPackageMetaPathFinder(importlib.abc.MetaPathFinder) | CythonPackageMetaPathFinder(name_filter) | | Method resolution order: | CythonPackageMetaPathFinder | importlib.abc.MetaPathFinder | builtins.object | | Methods defined here: | | __init__(self, name_filter) | | find_spec(self, fullname, path, target=None) | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __abstractmethods__ = frozenset() | | ---------------------------------------------------------------------- | Methods inherited from importlib.abc.MetaPathFinder: | | invalidate_caches(self) | An optional method for clearing the finder's cache, if any. | This method is used by importlib.invalidate_caches(). | | ---------------------------------------------------------------------- | Data descriptors inherited from importlib.abc.MetaPathFinder: | | __dict__ | dictionary for instance variables | | __weakref__ | list of weak references to the object
cantera.Domain1D
Python Library Documentation: class Domain1D in module cantera._onedim
class Domain1D(builtins.object)
| Methods defined here:
|
| __copy__(self)
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.DustyGas
Python Library Documentation: class DustyGas in module cantera.composite
class DustyGas(cantera.transport.DustyGasTransport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
| A composite class which models a gas in a stationary, solid, porous medium.
|
| The only transport properties computed are the multicomponent diffusion
| coefficients. The model does not compute viscosity or thermal conductivity.
|
| Method resolution order:
| DustyGas
| cantera.transport.DustyGasTransport
| cantera.transport.Transport
| cantera.kinetics.Kinetics
| cantera.thermo.ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods inherited from cantera.transport.DustyGasTransport:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| molar_fluxes(self, T1, T2, rho1, rho2, Y1, Y2, delta)
| Get the molar fluxes [kmol/m²/s], given the thermodynamic state at
| two nearby points.
|
| :param T1:
| Temperature [K] at the first point
| :param T2:
| Temperature [K] at the second point
| :param rho1:
| Density [kg/m³] at the first point
| :param rho2:
| Density [kg/m³] at the second point
| :param Y1:
| Array of mass fractions at the first point. Length `n_species`.
| :param Y2:
| Array of mass fractions at the second point. Length `n_species`.
| :param delta:
| Distance [m] between the two points.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.transport.DustyGasTransport:
|
| __new__(*args, **kwargs) class method of cantera.transport.DustyGasTransport
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.transport.DustyGasTransport:
|
| mean_particle_diameter
| Mean particle diameter of the porous medium [m].
|
| mean_pore_radius
| Mean pore radius of the porous medium [m].
|
| permeability
| Permeability of the porous medium [m²].
|
| porosity
| Porosity of the porous medium [dimensionless].
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
| Returns the thermal conductivity of the ideal gas object using the
| multicomponent model. The value is not specific to the dusty gas model.
|
| tortuosity
| Tortuosity of the porous medium [dimensionless].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.transport.Transport:
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.transport.Transport:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.kinetics.Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.kinetics.Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from cantera.thermo.ThermoPhase:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.DustyGasTransport
Python Library Documentation: class DustyGasTransport in module cantera.transport
class DustyGasTransport(Transport)
| Implements the "dusty gas" model for transport in porous media.
|
| As implemented here, only species transport (`~Transport.multi_diff_coeffs`)
| is handled. The viscosity, thermal conductivity, and thermal diffusion
| coefficients are not implemented.
|
| Method resolution order:
| DustyGasTransport
| Transport
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| molar_fluxes(self, T1, T2, rho1, rho2, Y1, Y2, delta)
| Get the molar fluxes [kmol/m²/s], given the thermodynamic state at
| two nearby points.
|
| :param T1:
| Temperature [K] at the first point
| :param T2:
| Temperature [K] at the second point
| :param rho1:
| Density [kg/m³] at the first point
| :param rho2:
| Density [kg/m³] at the second point
| :param Y1:
| Array of mass fractions at the first point. Length `n_species`.
| :param Y2:
| Array of mass fractions at the second point. Length `n_species`.
| :param delta:
| Distance [m] between the two points.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| mean_particle_diameter
| Mean particle diameter of the porous medium [m].
|
| mean_pore_radius
| Mean pore radius of the porous medium [m].
|
| permeability
| Permeability of the porous medium [m²].
|
| porosity
| Porosity of the porous medium [dimensionless].
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
| Returns the thermal conductivity of the ideal gas object using the
| multicomponent model. The value is not specific to the dusty gas model.
|
| tortuosity
| Tortuosity of the porous medium [dimensionless].
|
| ----------------------------------------------------------------------
| Methods inherited from Transport:
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Transport:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.EigenSparseDirectJacobian
Python Library Documentation: class EigenSparseDirectJacobian in module cantera.jacobians class EigenSparseDirectJacobian(EigenSparseJacobian) | A system matrix solver that uses Eigen's sparse direct (LU) algorithm. Wraps C++ | class :ct:`EigenSparseDirectJacobian`. | | Method resolution order: | EigenSparseDirectJacobian | EigenSparseJacobian | SystemJacobian | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | ---------------------------------------------------------------------- | Methods inherited from EigenSparseJacobian: | | print_contents(self) | | ---------------------------------------------------------------------- | Data descriptors inherited from EigenSparseJacobian: | | jacobian | Property to retrieve the latest Jacobian. | | matrix | Property to retrieve the latest internal preconditioner matrix. | | ---------------------------------------------------------------------- | Data descriptors inherited from SystemJacobian: | | side | Get/Set the side of the system matrix where the preconditioner is applied. | Options are "none", "left", "right", or "both". Not all options are supported | by all solver types. | | ---------------------------------------------------------------------- | Data and other attributes inherited from SystemJacobian: | | linear_solver_type = 'GMRES'
cantera.EigenSparseJacobian
Python Library Documentation: class EigenSparseJacobian in module cantera.jacobians class EigenSparseJacobian(SystemJacobian) | Base class for system Jacobians that use Eigen sparse matrices for storage. | Wraps C++ class :ct:`EigenSparseJacobian`. | | Method resolution order: | EigenSparseJacobian | SystemJacobian | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | print_contents(self) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | jacobian | Property to retrieve the latest Jacobian. | | matrix | Property to retrieve the latest internal preconditioner matrix. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | ---------------------------------------------------------------------- | Data descriptors inherited from SystemJacobian: | | side | Get/Set the side of the system matrix where the preconditioner is applied. | Options are "none", "left", "right", or "both". Not all options are supported | by all solver types. | | ---------------------------------------------------------------------- | Data and other attributes inherited from SystemJacobian: | | linear_solver_type = 'GMRES'
cantera.ElectronCollisionPlasmaRate
Python Library Documentation: class ElectronCollisionPlasmaRate in module cantera.reaction
class ElectronCollisionPlasmaRate(ReactionRate)
| A reaction rate coefficient which depends on electron collision cross section
| and electron energy distribution
|
| Method resolution order:
| ElectronCollisionPlasmaRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| cross_sections
| The cross sections [m2]. Each cross section corresponds to a energy
| level of `energy_levels`.
|
| energy_levels
| The energy levels [eV]. Each level corresponds to a cross section
| of `cross_sections`.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.Element
Python Library Documentation: class Element in module cantera.thermo
class Element(builtins.object)
| Element(arg)
|
| An element or a named isotope defined in Cantera.
|
| Class `Element` gets data for the elements and isotopes defined in
| :ct:`Elements.cpp`. This class can be used in two ways. The
| first way is to get information about all of the elements stored in
| Cantera. The three attributes `num_elements_defined`,
| `element_symbols`, and `element_names` can be accessed by::
|
| >>> ct.Element.num_elements_defined
| >>> ct.Element.element_symbols
| >>> ct.Element.element_names
|
| Otherwise, if the class `Element` is called with an argument, it
| stores the data about that particular element. For example::
|
| >>> ar_sym = ct.Element('Ar')
| >>> ar_name = ct.Element('argon')
| >>> ar_num = ct.Element(18)
|
| would all create instances with the information for argon. The
| available argument options to create an instance of the `Element`
| class with the element information are the `name`, `symbol`, and
| `atomic_number`. Once an instance of the class is made, the `name`,
| `atomic_number`, `symbol`, and atomic `weight` can be accessed as
| attributes of the instance of the `Element` class.
|
| >>> ar_sym.name
| 'argon'
| >>> ar_sym.weight
| 39.948
| >>> ar_sym.atomic_number
| 18
| >>> ar_sym.symbol
| 'Ar'
|
| The elements available are listed below, in the `element_symbols`
| and `element_names` attribute documentation.
|
| Methods defined here:
|
| __init__(self, arg)
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| atomic_number
| The atomic number of the element or isotope.
|
| name
| The name of the element or isotope.
|
| symbol
| The symbol of the element or isotope.
|
| weight
| The atomic weight of the element or isotope.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| __dict__
| dictionary for instance variables
|
| __weakref__
| list of weak references to the object
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| element_names = ('hydrogen', 'helium', 'lithium', 'beryllium', 'boron'...
|
| element_symbols = ('H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne...
|
| num_elements_defined = 118
cantera.ExtensibleConstPressureMoleReactor
Python Library Documentation: class ExtensibleConstPressureMoleReactor in module cantera.reactor
class ExtensibleConstPressureMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `ConstPressureMoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleConstPressureMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ExtensibleConstPressureReactor
Python Library Documentation: class ExtensibleConstPressureReactor in module cantera.reactor
class ExtensibleConstPressureReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `ConstPressureReactor` class.
|
| Method resolution order:
| ExtensibleConstPressureReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ExtensibleIdealGasConstPressureMoleReactor
Python Library Documentation: class ExtensibleIdealGasConstPressureMoleReactor in module cantera.reactor
class ExtensibleIdealGasConstPressureMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasConstPressureMoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleIdealGasConstPressureMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ExtensibleIdealGasConstPressureReactor
Python Library Documentation: class ExtensibleIdealGasConstPressureReactor in module cantera.reactor
class ExtensibleIdealGasConstPressureReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasConstPressureReactor` class.
|
| Method resolution order:
| ExtensibleIdealGasConstPressureReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ExtensibleIdealGasMoleReactor
Python Library Documentation: class ExtensibleIdealGasMoleReactor in module cantera.reactor
class ExtensibleIdealGasMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasMoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleIdealGasMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ExtensibleIdealGasReactor
Python Library Documentation: class ExtensibleIdealGasReactor in module cantera.reactor
class ExtensibleIdealGasReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasReactor` class.
|
| Method resolution order:
| ExtensibleIdealGasReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ExtensibleMoleReactor
Python Library Documentation: class ExtensibleMoleReactor in module cantera.reactor
class ExtensibleMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `MoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ExtensibleRate
Python Library Documentation: class ExtensibleRate in module cantera.reaction
class ExtensibleRate(ReactionRate)
| A base class for a user-defined reaction rate parameterization. Classes derived from
| this class should be decorated with the `extension` decorator to specify the name
| of the rate parameterization and its corresponding data class, and to make these
| rates constructible through factory functions and input files.
|
| Classes derived from `ExtensibleRate` should implement the `set_parameters`,
| `get_parameters`, `eval`, and (optionally) `validate` methods, which will be called
| as delegates from the C++ :ct:`ReactionRate` class.
|
| .. warning::
|
| The delegatable methods defined here are an experimental part of the
| Cantera API and may change without notice.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| eval(self, data: 'ExtensibleRateData') -> 'float'
| Responsible for calculating the forward rate constant based on the current state
| of the phase, stored in an instance of a class derived from
| `ExtensibleRateData`.
|
| get_parameters(self, params: 'AnyMap') -> 'None'
| Responsible for serializing the state of the ExtensibleRate object, using the
| same format as a YAML reaction entry. This is the inverse of `set_parameters`.
|
| Serialization methods may request output in unit systems other than Cantera's
| native mks+kmol system. To enable conversions to the user-specified unit system,
| dimensional values should be added to ``params`` using the methods
| `AnyMap.set_quantity` and `AnyMap.set_activation_energy`.
|
| set_parameters(self, params: 'AnyMap', rate_coeff_units: 'UnitStack') -> 'None'
| Responsible for setting rate parameters based on the input data. For example,
| for reactions created from YAML, ``params`` is the YAML reaction entry converted
| to an ``AnyMap``. ``rate_coeff_units`` specifies the units of the rate
| coefficient.
|
| Input values contained in ``params`` may be in non-default unit systems,
| specified in the user-provided input file. To convert them to Cantera's native
| mks+kmol unit system, use the functions `AnyMap.convert`,
| `AnyMap.convert_activation_energy`, and `AnyMap.convert_rate_coeff` as needed.
|
| validate(self, equation: 'str', soln: "'Solution'") -> 'None'
| Responsible for validating that the rate expression is configured with valid
| parameters. This may depend on properties of the Solution, for example
| temperature ranges over which the rate expression can be evaluated. Raises an
| exception if any validation fails.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| delegatable_methods = {'eval': ('evalFromStruct', 'double(void*)', 're...
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.ExtensibleRateData
Python Library Documentation: class ExtensibleRateData in module cantera.reaction
class ExtensibleRateData(builtins.object)
| A base class for data used when evaluating instances of `ExtensibleRate`. Classes
| derived from `ExtensibleRateData` are used to store common data needed to evaluate
| all reactions of a particular type.
|
| Classes derived from `ExtensibleRateData` must implement the `update` method. After
| the `update` method has been called, instances of `ExtensibleRateData` are passed as
| the argument to `ExtensibleRate.eval`.
|
| .. versionadded:: 3.0
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __reduce_cython__(self)
|
| __setstate__ = __setstate_cython__(...)
|
| __setstate_cython__(self, __pyx_state)
|
| update(self, soln)
| This method takes a `Solution` object and stores any thermodynamic data (for
| example, temperature and pressure) needed to evaluate all reactions of the
| corresponding ReactionRate type.
|
| If this state data has changed since the last time `update` was called and the
| reaction rates need to be updated, this method should return `True`. Otherwise,
| it should return `False`.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| delegatable_methods = {'update': ('update', 'double(void*)', 'replace'...
cantera.ExtensibleReactor
Python Library Documentation: class ExtensibleReactor in module cantera.reactor
class ExtensibleReactor(Reactor)
| A base class for a reactor with delegated methods where the base
| functionality corresponds to the `Reactor` class.
|
| The following methods of the C++ :ct:`Reactor` class can be modified by a
| Python class which inherits from this class. For each method, the name below
| should be prefixed with ``before_``, ``after_``, or ``replace_``, indicating
| whether this method should be called before, after, or instead of the
| corresponding method from the base class.
|
| For methods that return a value and have a ``before`` method specified, if
| that method returns a value other than ``None`` that value will be returned
| without calling the base class method; otherwise, the value from the base
| class method will be returned. For methods that return a value and have an
| ``after`` method specified, the returned value wil be the sum of the values
| from the supplied method and the base class method.
|
| ``initialize(self, t0: double) -> None``
| Responsible for allocating and setting the sizes of any internal
| variables, initializing attached walls, and setting the total number of
| state variables associated with this reactor, `n_vars`.
|
| Called once before the start of time integration.
|
| ``sync_state(self) -> None``
| Responsible for setting the state of the reactor to correspond to the
| state of the associated ThermoPhase object.
|
| ``get_state(self, y : double[:]) -> None``
| Responsible for populating the state vector ``y`` (length `n_vars`)
| with the initial state of the reactor.
|
| ``update_state(self, y : double[:]) -> None``
| Responsible for setting the state of the reactor object from the
| values in the state vector ``y`` (length `n_vars`)
|
| ``update_surface_state(self, y : double[:]) -> None``
| Responsible for setting the state of surface phases in this reactor
| from the values in the state vector ``y``. The length of ``y`` is the
| total number of surface species in all surfaces.
|
| ``get_surface_initial_conditions(self, y : double[:]) -> None``
| Responsible for populating the state vector ``y`` with the initial
| state of each surface phase in this reactor. The length of ``y`` is the
| total number of surface species in all surfaces.
|
| ``update_connected(self, update_pressure : bool) -> None``
| Responsible for storing properties which may be accessed by connected
| reactors, and for updating the mass flow rates of connected flow devices.
|
| ``eval(self, t : double, LHS : double[:], RHS : double[:]) -> None``
| Responsible for calculating the time derivative of the state at time ``t``
| based on the current state of the reactor. For each component ``i`` of the
| state vector, the time derivative ``dy[i]/dt`` is calculated as
| ``LHS[i] * dy[i]/dt = RHS[i]``. ``LHS`` and ``RHS`` are arrays of length
| `n_vars`.
|
| ``eval_walls(self, t : double) -> None``
| Responsible for calculating the net rate of volume change `expansion_rate`
| and the net rate of heat transfer `heat_rate` caused by walls connected
| to this reactor.
|
| ``eval_surfaces(LHS : double[:], RHS : double[:], sdot : double[:]) -> None``
| Responsible for calculating the ``LHS`` and ``RHS`` (length: total number of
| surface species in all surfaces) of the ODEs for surface species coverages,
| and the molar production rate of bulk phase species ``sdot`` (length: number
| of bulk phase species).
|
| ``component_name(i : int) -> string``
| Returns the name of the state vector component with index ``i``
|
| ``component_index(name: string) -> int``
| Returns the index of the state vector component named ``name``
|
| ``species_index(name : string) -> int``
| Returns the index of the species named ``name``, in either the bulk
| phase or a surface phase, relative to the start of the species terms in
| the state vector.
|
| Method resolution order:
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| reactor_type = 'ExtensibleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.FalloffRate
Python Library Documentation: class FalloffRate in module cantera.reaction
class FalloffRate(ReactionRate)
| Base class for parameterizations used to describe the fall-off in reaction rates
| due to intermolecular energy transfer.
|
| Note that `FalloffRate` is a base class for specialized fall-off parameterizations
| and cannot be instantiated by itself.
|
| Method resolution order:
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.FlameBase
Python Library Documentation: class FlameBase in module cantera.onedim
class FlameBase(cantera._onedim.Sim1D)
| FlameBase(domains, gas, grid=None)
|
| Base class for flames with a single flow domain
|
| Method resolution order:
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, domains, gas, grid=None)
| :param gas:
| object to use to evaluate all gas properties and reaction rates
| :param grid:
| array of initial grid points
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_initial_guess(self, *args, data=None, group=None, **kwargs)
| Set the initial guess for the solution, and load restart data if
| provided. Derived classes extend this function to set approximations
| for the temperature and composition profiles.
|
| :param data:
| Restart data, which are typically based on an earlier simulation
| result. Restart data may be specified using a `SolutionArray`,
| `pandas.DataFrame`, or previously saved CSV, YAML or HDF container files.
| Note that restart data do not overwrite boundary conditions.
| HDF input requires Cantera compiled with HDF support. DataFrame input
| requires a working installation of *pandas*, which can be installed using
| pip or conda (package: ``pandas``).
| :param group:
| Group identifier within a HDF container file (only used in
| combination with HDF restart data).
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.FlowBase
Python Library Documentation: class FlowBase in module cantera._onedim
class FlowBase(Domain1D)
| Base class for 1D flow domains
|
| Method resolution order:
| FlowBase
| Domain1D
| builtins.object
|
| Methods defined here:
|
| __getattr__(...)
|
| __getattribute__(self, name, /)
| Return getattr(self, name).
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| get_settings3(self)
| Temporary method returning new behavior of settings getter.
|
| .. versionadded:: 3.0
|
| set_axisymmetric_flow(self)
| Set flow configuration for axisymmetric counterflow or burner-stabilized
| flames, using specified inlet mass fluxes.
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_fixed_temp_profile(self, pos, T)
| Set the fixed temperature profile. This profile is used
| whenever the energy equation is disabled.
|
| :param pos:
| array of relative positions from 0 to 1
| :param temp:
| array of temperature values
|
| >>> d.set_fixed_temp_profile(array([0.0, 0.5, 1.0]),
| ... array([500.0, 1500.0, 2000.0])
|
| set_free_flow(self)
| Set flow configuration for freely-propagating flames, using an internal
| point with a fixed temperature as the condition to determine the inlet
| mass flux.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| P
| Pressure [Pa]
|
| T
| Array containing the temperature [K] at each grid point.
|
| .. versionadded:: 3.2
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| .. versionadded:: 3.2
|
| electric_field_enabled
| Determines whether or not to solve the electric field equation (only relevant
| if transport model is ``ionized-gas``).
|
| energy_enabled
| Determines whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| oxidizer_velocity
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| .. versionchanged:: 3.2
|
| radial_pressure_gradient
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code and is only
| defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| radiation_enabled
| Determines whether or not to include radiative heat transfer
|
| radiative_heat_loss
| Return radiative heat loss (only non-zero if radiation is enabled).
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| solving_stage
| Solving stage mode for handling ionized species (only relevant if transport
| model is ``ionized-gas``):
|
| - ``stage == 1``: the fluxes of charged species are set to zero
| - ``stage == 2``: the electric field equation is solved, and the drift flux for
| ionized species is evaluated
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Use the `electric_field_enabled` property
| instead.
|
| soret_enabled
| Determines whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option only works for multicomponent and
| mixture-averaged diffusion models.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point. Note: This value is named
| ``spreadRate`` in the C++ code and is only defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| transport_model
| Get/set the transport model used for calculating transport properties.
|
| .. versionadded:: 3.0
|
| two_point_control_enabled
| Get/Set the state of the two-point flame control
|
| type
| Return the type of flow domain being represented.
|
| Examples:
| - ``free-flow``/``free-ion-flow``,
| - ``axisymmetric-flow``/``axisymmetric-ion-flow``,
| - ``unstrained-flow``/``unstrained-ion-flow``
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.FlowDevice
Python Library Documentation: class FlowDevice in module cantera.reactor class FlowDevice(ConnectorNode) | Base class for devices that allow flow between reactors. | | FlowDevice objects are assumed to be adiabatic, non-reactive, and have | negligible internal volume, so that they are internally always in | steady-state even if the upstream and downstream reactors are not. The | fluid enthalpy, chemical composition, and mass flow rate are constant | across a FlowDevice, and the pressure difference equals the difference in | pressure between the upstream and downstream reactors. | | Method resolution order: | FlowDevice | ConnectorNode | builtins.object | | Methods defined here: | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None) | Draw as connection between upstream and downstream reactor or reservoir using | ``graphviz``. | | :param graph: | ``graphviz.graphs.BaseGraph`` object to which the connection is added. | If not provided, a new ``DiGraph`` is created. Defaults to ``None`` | :param graph_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the general appearance of the drawn network. | Has no effect if existing ``graph`` is provided. | See https://graphviz.org/docs/graph/ for a list of all usable attributes. | :param node_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the default appearance of any ``node`` (reactors, reservoirs). | Has no effect if existing ``graph`` is provided. | See https://graphviz.org/docs/nodes/ for a list of all usable attributes. | :param edge_attr: | Attributes to be passed to the ``edge`` method invoked to draw this flow | controller connection. | See https://graphviz.org/docs/edges/ for a list of all usable attributes. | :return: | A ``graphviz.graphs.BaseGraph`` object depicting the connection. | | .. versionadded:: 3.1 | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | device_coefficient | Device coefficient (defined by derived class). | | Example: | | >>> v = Valve(res1, reactor1) | >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient' | | .. versionadded:: 3.2 | | downstream | Return the `Reactor` or `Reservoir` object downstream of the flow device. | | .. versionadded:: 3.1 | | mass_flow_rate | Get the mass flow rate [kg/s] through this device at the current reactor | network time. | | pressure_function | The relationship between mass flow rate and the pressure drop across a flow | device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and | a coefficient set by a flow device specific function. Unless a user-defined | pressure function is provided, the function returns the pressure difference | across the device. The calculation of mass flow rate depends on the flow device. | | >>> f = FlowDevice(res1, reactor1) | >>> f.pressure_function = lambda dP: dP**2 | | where `FlowDevice` is either a `Valve` or `PressureController` object. | | .. versionadded:: 3.0 | | time_function | The time dependence of a flow device. The mass flow rate [kg/s] is calculated | for a Flow device, and multiplied by a function of time, which returns 1.0 | unless a user-defined function is provided. The calculation of mass flow rate | depends on the flow device. | | >>> f = FlowDevice(res1, reactor1) | >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2) | | where `FlowDevice` is either a `Valve` or `MassFlowController` object. | | .. versionadded:: 3.0 | | upstream | Return the `Reactor` or `Reservoir` object upstream of the flow device. | | .. versionadded:: 3.1 | | ---------------------------------------------------------------------- | Methods inherited from ConnectorNode: | | __copy__(self) | | __reduce__(self) | | ---------------------------------------------------------------------- | Data descriptors inherited from ConnectorNode: | | edge_attr | A dictionary containing draw attributes for the representation of the `WallBase` as | a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable | attributes. | | .. versionadded:: 3.1 | | name | The name of the connector. | | type | The type of the connector. | | ---------------------------------------------------------------------- | Data and other attributes inherited from ConnectorNode: | | node_type = 'none'
cantera.FlowReactor
Python Library Documentation: class FlowReactor in module cantera.reactor
class FlowReactor(Reactor)
| A steady-state plug flow reactor with constant cross sectional area.
| Integration follows a fluid element along the length of the reactor.
| The reactor is assumed to be frictionless and adiabatic.
|
| Method resolution order:
| FlowReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| area
| Get/set the area of the reactor [m²].
|
| When the area is changed, the flow speed is scaled to keep the total mass flow
| rate constant.
|
| inlet_surface_atol
| Get/Set the steady-state tolerances used to determine the initial surface
| species coverages.
|
| inlet_surface_max_error_failures
| Get/Set the maximum number of integrator error failures allowed when determining
| the initial surface species coverages.
|
| inlet_surface_max_steps
| Get/Set the maximum number of integrator steps used to determine the initial
| surface species coverages.
|
| inlet_surface_rtol
| Get/Set the steady-state tolerances used to determine the initial surface
| species coverages.
|
| mass_flow_rate
| Mass flow rate [kg/s]
|
| speed
| Speed [m/s] of the flow in the reactor at the current position
|
| surface_area_to_volume_ratio
| Get/Set the surface area to volume ratio of the reactor [1/m]
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'FlowReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.FreeFlame
Python Library Documentation: class FreeFlame in module cantera.onedim
class FreeFlame(FlameBase)
| FreeFlame(gas, grid=None, width=None)
|
| A freely-propagating flat flame.
|
| Method resolution order:
| FreeFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| A domain of type `FreeFlow` named 'flame' will be created to represent
| the flame. The three domains comprising the stack are stored as ``self.inlet``,
| ``self.flame``, and ``self.outlet``.
|
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on a fixed grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| get_flame_speed_reaction_sensitivities(self)
| Compute the normalized sensitivities of the laminar flame speed
| :math:`S_u` with respect to the reaction rate constants :math:`k_i`:
|
| .. math::
|
| s_i = \frac{k_i}{S_u} \frac{dS_u}{dk_i}
|
| set_initial_guess(self, locs=[0.0, 0.3, 0.5, 1.0], data=None, group=None)
| Set the initial guess for the solution. By default, the adiabatic flame
| temperature and equilibrium composition are computed for the inlet gas
| composition. Alternatively, a previously calculated result can be
| supplied as an initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| :param locs:
| A list of four locations to define the temperature and mass fraction
| profiles. Profiles rise linearly between the second and third
| location. Locations are given as a fraction of the entire domain
|
| solve(self, loglevel=1, refine_grid=True, auto=False, stage=None)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
| :param stage: solution stage; only used when transport model is ``ionized-gas``.
|
| .. deprecated:: 3.2
|
| The ``stage`` argument will be removed after Cantera 3.2. Replaced by
| setting the `electric_field_enabled` property.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| inlet
|
| outlet
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.FreeFlow
Python Library Documentation: class FreeFlow in module cantera._onedim
class FreeFlow(FlowBase)
| A free flow domain. The equations solved are standard equations for adiabatic
| one-dimensional flow. The solution variables are:
|
| *velocity*
| axial velocity
| *T*
| temperature
| *Y_k*
| species mass fractions
|
| Method resolution order:
| FreeFlow
| FlowBase
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from FlowBase:
|
| __getattr__(...)
|
| __getattribute__(self, name, /)
| Return getattr(self, name).
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| get_settings3(self)
| Temporary method returning new behavior of settings getter.
|
| .. versionadded:: 3.0
|
| set_axisymmetric_flow(self)
| Set flow configuration for axisymmetric counterflow or burner-stabilized
| flames, using specified inlet mass fluxes.
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_fixed_temp_profile(self, pos, T)
| Set the fixed temperature profile. This profile is used
| whenever the energy equation is disabled.
|
| :param pos:
| array of relative positions from 0 to 1
| :param temp:
| array of temperature values
|
| >>> d.set_fixed_temp_profile(array([0.0, 0.5, 1.0]),
| ... array([500.0, 1500.0, 2000.0])
|
| set_free_flow(self)
| Set flow configuration for freely-propagating flames, using an internal
| point with a fixed temperature as the condition to determine the inlet
| mass flux.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlowBase:
|
| P
| Pressure [Pa]
|
| T
| Array containing the temperature [K] at each grid point.
|
| .. versionadded:: 3.2
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| .. versionadded:: 3.2
|
| electric_field_enabled
| Determines whether or not to solve the electric field equation (only relevant
| if transport model is ``ionized-gas``).
|
| energy_enabled
| Determines whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| oxidizer_velocity
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| .. versionchanged:: 3.2
|
| radial_pressure_gradient
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code and is only
| defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| radiation_enabled
| Determines whether or not to include radiative heat transfer
|
| radiative_heat_loss
| Return radiative heat loss (only non-zero if radiation is enabled).
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| solving_stage
| Solving stage mode for handling ionized species (only relevant if transport
| model is ``ionized-gas``):
|
| - ``stage == 1``: the fluxes of charged species are set to zero
| - ``stage == 2``: the electric field equation is solved, and the drift flux for
| ionized species is evaluated
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Use the `electric_field_enabled` property
| instead.
|
| soret_enabled
| Determines whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option only works for multicomponent and
| mixture-averaged diffusion models.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point. Note: This value is named
| ``spreadRate`` in the C++ code and is only defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| transport_model
| Get/set the transport model used for calculating transport properties.
|
| .. versionadded:: 3.0
|
| two_point_control_enabled
| Get/Set the state of the two-point flame control
|
| type
| Return the type of flow domain being represented.
|
| Examples:
| - ``free-flow``/``free-ion-flow``,
| - ``axisymmetric-flow``/``axisymmetric-ion-flow``,
| - ``unstrained-flow``/``unstrained-ion-flow``
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.Func1
Python Library Documentation: class Func1 in module cantera.func1
class Func1(builtins.object)
| This class is used as a wrapper for a function of one variable,
| :math:`y = f(t)`, that is defined in Python and can be called by the
| Cantera C++ core. `Func1` objects are constructed from callable Python
| objects, for example functions or classes which implement the `__call__` method::
|
| >>> f1 = Func1(math.sin)
| >>> f1(math.pi/4)
| 0.7071067811865475
|
| >>> f2 = Func1(lambda t: t**2 + 1)
| >>> f2(3)
| 10
|
| >>> class Multiplier:
| ... def __init__(self, factor):
| ... self.factor = factor
| ... def __call__(self, t):
| ... return self.factor * t
| >>> f3 = Func1(Multiplier(5))
| >>> f3(6)
| 30.0
|
| For simplicity, constant functions can be defined by passing a constant
| value directly::
|
| >>> f4 = Func1(2.5)
| >>> f4(0.1)
| 2.5
|
| Note that all methods which accept `Func1` objects will also accept the
| callable object and create the wrapper on their own, so it is often not
| necessary to explicitly create a `Func1` object.
|
| Note that `Func1` objects also allow for direct access to functor objects
| implemented in C++ based on associated type specifiers::
|
| >>> f5 = Func1("exp", 3.) # C++ 'Exp1' functor
| >>> f5.cxx_type
| 'Cantera::Exp1'
| >>> f5.write()
| '\exp(3x)'
| >>> f5(2.)
| 403.4287934927351
| >>> f6 = Func1("Arrhenius", [9630.0, 2.0, 2012.878]) # C++ 'Arrhenius1' functor
| >>> f6(1500)
| 5662665826.195515
|
| For implemented C++ functor types, see the Cantera C++ :ct:`Func1` documentation.
|
| `Func1` objects support operator overloading which facilitates the construction of
| compound functions, where some standard simplifications are implemented::
|
| >>> f7 = 2 * f5 + 3
| >>> f7.write()
| '2\exp(3x) + 3'
| >>> f7(2.)
| 809.8575869854702
| >>> f8 = f5 * f5
| >>> f8.write()
| '\exp(6x)'
| >>> f8(2.)
| 162754.79141900392
|
| .. versionchanged:: 3.1
|
| Implementations for operator overloading and direct support for C++ functor
| construction are added.
|
| Methods defined here:
|
| __add__(...)
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __copy__(self)
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __mul__(...)
|
| __radd__(...)
|
| __reduce__(self)
|
| __rmul__(...)
|
| __rsub__(...)
|
| __rtruediv__(...)
|
| __sub__(...)
|
| __truediv__(...)
|
| write(self, name='x')
| Write a :math:`LaTeX` expression representing a functor.
|
| :param name:
| Name of the variable to be used.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| cxx_type
| Return the type of the underlying C++ functor object.
|
| .. versionadded:: 3.1
|
| type
| Return the type of the underlying C++ functor object.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
cantera.GasTransportData
Python Library Documentation: class GasTransportData in module cantera.transport class GasTransportData(builtins.object) | Transport data for a single gas-phase species which can be used in | mixture-averaged or multicomponent transport models. | | The arguments passed to the constructor are equivalent to the properties of | the object, with values in MKS units. To set properties in non-MKS units, | use the `set_customary_units` method. | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | clear_user_data(self) | Clear all saved input data, so that the data given by `input_data` or | `Solution.write_yaml` will only include values generated by Cantera based on | the current object state. | | set_customary_units(self, geometry, diameter, well_depth, dipole=0.0, polarizability=0.0, rotational_relaxation=0.0, acentric_factor=0.0, dispersion_coefficient=0.0, quadrupole_polarizability=0.0) | Set the parameters using "customary" units: diameter in Angstroms, well | depth in Kelvin, dipole in Debye, and polarizability in Angstroms³. | These are the units used in in CK-style input files. | | update_user_data(self, data) | Add the contents of the provided `dict` as additional fields when generating | YAML phase definition files with `Solution.write_yaml` or in the data returned | by `input_data`. Existing keys with matching names are overwritten. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | acentric_factor | Get/Set Pitzer's acentric factor [dimensionless]. | | diameter | Get/Set the Lennard-Jones collision diameter [m] | | dipole | Get/Set the permanent dipole moment of the molecule [Coulomb-m]. | | dispersion_coefficient | Get/Set dispersion coefficient [m⁵]. | | geometry | Get/Set the string specifying the molecular geometry. One of `atom`, | `linear`, or `nonlinear`. | | input_data | Get input data defining this GasTransportData object, along with any | user-specified data provided with its input (YAML) definition. | | polarizability | Get/Set the polarizability of the molecule [m³]. | | quadrupole_polarizability | Get/Set quadrupole polarizability [m⁵]. | | rotational_relaxation | Get/Set the rotational relaxation number (the number of collisions it | takes to equilibrate the rotational degrees of freedom with the | temperature). | | well_depth | Get/Set the Lennard-Jones well depth [J] | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL>
cantera.Heptane
Python Library Documentation: function Heptane in module cantera.liquidvapor
Heptane() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for heptane.
The object returned by this method implements an accurate equation of
state for n-heptane that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances.* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::Heptane` in the
Cantera C++ source code documentation.
cantera.Hfc134a
Python Library Documentation: function Hfc134a in module cantera.liquidvapor
Hfc134a() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for HFC-134a.
The object returned by this method implements an accurate equation of
state for refrigerant HFC134a (R134a) that can be used in the liquid,
vapor, saturated liquid/vapor, and supercritical regions of the phase
diagram. Implements the equation of state given in:
R. Tillner-Roth, H. D. Baehr. *An International Standard Formulation for
The Thermodynamic Properties of 1,1,1,2-Tetrafluoroethane (HFC-134a) for
Temperatures From 170 K to 455 K and Pressures up to 70 MPa.* J. Phys.
Chem. Ref. Data, Vol. 23, No. 5, 1994. pp. 657--729.
http://dx.doi.org/10.1063/1.555958
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::HFC134a` in the
Cantera C++ source code documentation.
cantera.Hydrogen
Python Library Documentation: function Hydrogen in module cantera.liquidvapor
Hydrogen() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for hydrogen.
The object returned by this method implements an accurate equation of
state for hydrogen that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::hydrogen` in the
Cantera C++ source code documentation.
cantera.IdealGasConstPressureMoleReactor
Python Library Documentation: class IdealGasConstPressureMoleReactor in module cantera.reactor
class IdealGasConstPressureMoleReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor for ideal gas
| mixtures. The volume of the reactor changes as a function of time in order
| to keep the pressure constant. This reactor also uses a mole based state vector.
|
| Method resolution order:
| IdealGasConstPressureMoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.IdealGasConstPressureReactor
Python Library Documentation: class IdealGasConstPressureReactor in module cantera.reactor
class IdealGasConstPressureReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor for ideal gas
| mixtures. The volume of the reactor changes as a function of time in order
| to keep the pressure constant.
|
| Method resolution order:
| IdealGasConstPressureReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.IdealGasMoleReactor
Python Library Documentation: class IdealGasMoleReactor in module cantera.reactor
class IdealGasMoleReactor(Reactor)
| A constant volume, zero-dimensional reactor for ideal gas mixtures with a mole
| based state vector
|
| Method resolution order:
| IdealGasMoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.IdealGasReactor
Python Library Documentation: class IdealGasReactor in module cantera.reactor
class IdealGasReactor(Reactor)
| A constant volume, zero-dimensional reactor for ideal gas mixtures.
|
| Method resolution order:
| IdealGasReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ImpingingJet
Python Library Documentation: class ImpingingJet in module cantera.onedim
class ImpingingJet(FlameBase)
| ImpingingJet(gas, grid=None, width=None, surface=None)
|
| An axisymmetric flow impinging on a surface at normal incidence.
|
| Method resolution order:
| ImpingingJet
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None, surface=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on the initial grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
| :param surface:
| A Kinetics object used to compute any surface reactions.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.inlet``, ``self.flame``, and ``self.surface``.
|
| set_initial_guess(self, products='inlet', data=None, group=None)
| Set the initial guess for the solution. If products = 'equil', then
| the equilibrium composition at the adiabatic flame temperature will be
| used to form the initial guess. Otherwise the inlet composition will
| be used. Alternatively, a previously calculated result can be supplied
| as an initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| inlet
|
| surface
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.Inlet1D
Python Library Documentation: class Inlet1D in module cantera._onedim
class Inlet1D(Boundary1D)
| A one-dimensional inlet. Note that an inlet can only be a terminal
| domain - it must be either the leftmost or rightmost domain in a stack.
|
| Method resolution order:
| Inlet1D
| Boundary1D
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from Boundary1D:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Boundary1D:
|
| T
| The temperature [K] at this boundary.
|
| X
| Species mole fractions at this boundary. May be set as either a string
| or as an array.
|
| Y
| Species mass fractions at this boundary. May be set as either a string
| or as an array.
|
| mdot
| The mass flow rate per unit area [kg/s/m²]
|
| spread_rate
| Get/set the tangential velocity gradient [1/s] at this boundary.
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.Interface
Python Library Documentation: class Interface in module cantera.composite
class Interface(cantera.kinetics.InterfaceKinetics, cantera.thermo.InterfacePhase)
| Instances of class `Interface` represent reacting 2D surfaces between bulk 3D
| phases, or 1D edges where multiple surfaces (and bulk phases) meet. Class
| `Interface` defines no methods of its own. All of its methods derive from either
| `InterfacePhase` or `InterfaceKinetics`.
|
| Constructing an `Interface` object also involves constructing adjacent bulk phases
| that participate in reactions. This is done automatically if the adjacent phases
| are specified as part of the ``adjacent-phases`` entry in the YAML phase definition::
|
| diamond_surf = ct.Interface("diamond.yaml", name="diamond_100")
| gas = diamond_surf.adjacent["gas"]
| diamond = diamond_surf.adjacent["diamond"]
|
| This behavior can be overridden by specifying the adjacent phases explicitly,
| either using their name in the input file, or by constructing corresponding
| `Solution` objects::
|
| gas = ct.Solution("diamond.yaml", name="gas")
| diamond = ct.Solution("diamond.yaml", name="diamond")
| diamond_surf = ct.Interface("diamond.yaml", name="diamond_100",
| adjacent=[gas, diamond])
|
| Method resolution order:
| Interface
| cantera.kinetics.InterfaceKinetics
| cantera.kinetics.Kinetics
| cantera.thermo.InterfacePhase
| cantera.thermo.ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods inherited from cantera.kinetics.InterfaceKinetics:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| advance_coverages(self, dt, rtol=1e-07, atol=1e-14, max_step_size=0.0, max_steps=20000, max_error_test_failures=7)
| This method carries out a time-accurate advancement of the surface
| coverages for a specified amount of time.
|
| advance_coverages_to_steady_state(self)
| This method advances the surface coverages to steady state.
|
| get_creation_rates(self, phase)
| Creation rates for each species in phase ``phase``. Use the
| `creation_rates` property to get the creation rates for species in all
| phases.
|
| get_destruction_rates(self, phase)
| Destruction rates for each species in phase ``phase``. Use the
| `destruction_rates` property to get the destruction rates for species
| in all phases.
|
| get_net_production_rates(self, phase)
| Net production rates for each species in phase ``phase``. Use the
| `net_production_rates` property to get the net production rates for
| species in all phases.
|
| interface_current(self, phase)
| The interface current is useful when charge transfer reactions occur at
| an interface. It is defined here as the net positive charge entering the
| phase ``phase`` (Units: A/m² for a surface, A/m for an edge reaction).
|
| phase_index(self, phase)
| Get the index of the phase ``phase``, where ``phase`` may specified using
| the phase object, the name, or the index itself.
|
| write_yaml(self, filename, phases=None, units=None, precision=None, skip_user_defined=None)
| See `_SolutionBase.write_yaml <cantera._cantera._SolutionBase.write_yaml>`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.kinetics.InterfaceKinetics:
|
| __new__(*args, **kwargs) class method of cantera.kinetics.InterfaceKinetics
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.kinetics.Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.kinetics.Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.InterfacePhase:
|
| set_unnormalized_coverages(self, cov)
| Set the surface coverages without normalizing to force sum(cov) == 1.0.
| Useful primarily when calculating derivatives with respect to cov[k] by
| finite difference.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.InterfacePhase:
|
| adjacent
| A dictionary containing higher-dimensional phases adjacent to this interface,
| for example bulk phases adjacent to a surface.
|
| coverages
| Get/Set the fraction of sites covered by each species.
|
| site_density
| Get/Set the site density. [kmol/m²] for surface phases; [kmol/m] for
| edge phases.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from cantera.thermo.InterfacePhase:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.InterfaceArrheniusRate
Python Library Documentation: class InterfaceArrheniusRate in module cantera.reaction
class InterfaceArrheniusRate(InterfaceRateBase)
| A reaction rate coefficient which depends on temperature and interface coverage
|
| Method resolution order:
| InterfaceArrheniusRate
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.InterfaceBlowersMaselRate
Python Library Documentation: class InterfaceBlowersMaselRate in module cantera.reaction
class InterfaceBlowersMaselRate(InterfaceRateBase)
| A reaction rate coefficient which depends on temperature and enthalpy change
| of the reaction follows the Blowers-Masel approximation and modified Arrhenius form
| described in `ArrheniusRate`.
|
| Method resolution order:
| InterfaceBlowersMaselRate
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| bond_energy
| Average bond dissociation energy of the bond being formed and broken
| in the reaction ``E`` [J/kmol].
|
| delta_enthalpy
| Enthalpy change of reaction ``deltaH`` [J/kmol]
|
| The enthalpy change of reaction is a function of temperature and thus not
| an independent property. Accordingly, the setter should be only used for
| testing purposes, as any value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.InterfaceKinetics
Python Library Documentation: class InterfaceKinetics in module cantera.kinetics
class InterfaceKinetics(Kinetics)
| A kinetics manager for heterogeneous reaction mechanisms. The
| reactions are assumed to occur at an interface between bulk phases.
|
| Method resolution order:
| InterfaceKinetics
| Kinetics
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| advance_coverages(self, dt, rtol=1e-07, atol=1e-14, max_step_size=0.0, max_steps=20000, max_error_test_failures=7)
| This method carries out a time-accurate advancement of the surface
| coverages for a specified amount of time.
|
| advance_coverages_to_steady_state(self)
| This method advances the surface coverages to steady state.
|
| get_creation_rates(self, phase)
| Creation rates for each species in phase ``phase``. Use the
| `creation_rates` property to get the creation rates for species in all
| phases.
|
| get_destruction_rates(self, phase)
| Destruction rates for each species in phase ``phase``. Use the
| `destruction_rates` property to get the destruction rates for species
| in all phases.
|
| get_net_production_rates(self, phase)
| Net production rates for each species in phase ``phase``. Use the
| `net_production_rates` property to get the net production rates for
| species in all phases.
|
| interface_current(self, phase)
| The interface current is useful when charge transfer reactions occur at
| an interface. It is defined here as the net positive charge entering the
| phase ``phase`` (Units: A/m² for a surface, A/m for an edge reaction).
|
| phase_index(self, phase)
| Get the index of the phase ``phase``, where ``phase`` may specified using
| the phase object, the name, or the index itself.
|
| write_yaml(self, filename, phases=None, units=None, precision=None, skip_user_defined=None)
| See `_SolutionBase.write_yaml <cantera._cantera._SolutionBase.write_yaml>`.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.InterfacePhase
Python Library Documentation: class InterfacePhase in module cantera.thermo
class InterfacePhase(ThermoPhase)
| A class representing a surface, edge phase
|
| Method resolution order:
| InterfacePhase
| ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| set_unnormalized_coverages(self, cov)
| Set the surface coverages without normalizing to force sum(cov) == 1.0.
| Useful primarily when calculating derivatives with respect to cov[k] by
| finite difference.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| adjacent
| A dictionary containing higher-dimensional phases adjacent to this interface,
| for example bulk phases adjacent to a surface.
|
| coverages
| Get/Set the fraction of sites covered by each species.
|
| site_density
| Get/Set the site density. [kmol/m²] for surface phases; [kmol/m] for
| edge phases.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.InterfaceRateBase
Python Library Documentation: class InterfaceRateBase in module cantera.reaction
class InterfaceRateBase(ArrheniusRateBase)
| Base class collecting commonly used features of Arrhenius-type rate objects
| that include coverage dependencies.
|
| Method resolution order:
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.Kinetics
Python Library Documentation: class Kinetics in module cantera.kinetics
class Kinetics(cantera.solutionbase._SolutionBase)
| Instances of class `Kinetics` are responsible for evaluating reaction rates
| of progress, species production rates, and other quantities pertaining to
| a reaction mechanism.
|
| Method resolution order:
| Kinetics
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.LindemannRate
Python Library Documentation: class LindemannRate in module cantera.reaction
class LindemannRate(FalloffRate)
| The Lindemann falloff parameterization.
|
| This class implements the simple falloff function :math:`F(T,P_r) = 1.0`.
|
| Method resolution order:
| LindemannRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.LinearBurkeRate
Python Library Documentation: class LinearBurkeRate in module cantera.reaction
class LinearBurkeRate(ReactionRate)
| A reaction rate dependent on both pressure and mixture composition that accounts for
| collisions between reactants and bath gas species.
|
| Method resolution order:
| LinearBurkeRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.MassFlowController
Python Library Documentation: class MassFlowController in module cantera.reactor class MassFlowController(FlowDevice) | A mass flow controller maintains a specified mass | flow rate independent of upstream and downstream conditions. The equation | used to compute the mass flow rate is | | .. math:: \dot m = \max(\dot m_0*g(t), 0.), | | where :math:`\dot m_0` is a constant value and :math:`g(t)` is a function of | time. Both :math:`\dot m_0` and :math:`g(t)` can be set individually by | properties `mass_flow_coeff` and `time_function`, respectively. The property | `mass_flow_rate` combines the former into a single interface. Note that if | :math:`\dot m_0*g(t) < 0`, the mass flow rate will be set to zero, since | reversal of the flow direction is not allowed. | | Unlike a real mass flow controller, a MassFlowController object will | maintain the flow even if the downstream pressure is greater than the | upstream pressure. This allows simple implementation of loops, in which | exhaust gas from a reactor is fed back into it through an inlet. But note | that this capability should be used with caution, since no account is | taken of the work required to do this. | | Method resolution order: | MassFlowController | FlowDevice | ConnectorNode | builtins.object | | Methods defined here: | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | mass_flow_coeff | Set the mass flow rate [kg/s] through the mass flow controller | as a constant, which may be modified by a function of time, see | `time_function`. | | >>> mfc = MassFlowController(res1, reactor1) | >>> mfc.mass_flow_coeff = 1e-4 # Set the flow rate to a constant | >>> mfc.mass_flow_coeff # Get the flow rate value | | mass_flow_rate | Set the mass flow rate [kg/s] through this controller to be either | a constant or an arbitrary function of time. See `Func1`, or get its | current value. | | Note that depending on the argument type, this method either changes | the property `mass_flow_coeff` or updates the `time_function` property. | | >>> mfc.mass_flow_rate = 0.3 | >>> mfc.mass_flow_rate = lambda t: 2.5 * exp(-10 * (t - 0.5)**2) | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | node_type = 'MassFlowController' | | ---------------------------------------------------------------------- | Methods inherited from FlowDevice: | | draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None) | Draw as connection between upstream and downstream reactor or reservoir using | ``graphviz``. | | :param graph: | ``graphviz.graphs.BaseGraph`` object to which the connection is added. | If not provided, a new ``DiGraph`` is created. Defaults to ``None`` | :param graph_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the general appearance of the drawn network. | Has no effect if existing ``graph`` is provided. | See https://graphviz.org/docs/graph/ for a list of all usable attributes. | :param node_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the default appearance of any ``node`` (reactors, reservoirs). | Has no effect if existing ``graph`` is provided. | See https://graphviz.org/docs/nodes/ for a list of all usable attributes. | :param edge_attr: | Attributes to be passed to the ``edge`` method invoked to draw this flow | controller connection. | See https://graphviz.org/docs/edges/ for a list of all usable attributes. | :return: | A ``graphviz.graphs.BaseGraph`` object depicting the connection. | | .. versionadded:: 3.1 | | ---------------------------------------------------------------------- | Data descriptors inherited from FlowDevice: | | device_coefficient | Device coefficient (defined by derived class). | | Example: | | >>> v = Valve(res1, reactor1) | >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient' | | .. versionadded:: 3.2 | | downstream | Return the `Reactor` or `Reservoir` object downstream of the flow device. | | .. versionadded:: 3.1 | | pressure_function | The relationship between mass flow rate and the pressure drop across a flow | device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and | a coefficient set by a flow device specific function. Unless a user-defined | pressure function is provided, the function returns the pressure difference | across the device. The calculation of mass flow rate depends on the flow device. | | >>> f = FlowDevice(res1, reactor1) | >>> f.pressure_function = lambda dP: dP**2 | | where `FlowDevice` is either a `Valve` or `PressureController` object. | | .. versionadded:: 3.0 | | time_function | The time dependence of a flow device. The mass flow rate [kg/s] is calculated | for a Flow device, and multiplied by a function of time, which returns 1.0 | unless a user-defined function is provided. The calculation of mass flow rate | depends on the flow device. | | >>> f = FlowDevice(res1, reactor1) | >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2) | | where `FlowDevice` is either a `Valve` or `MassFlowController` object. | | .. versionadded:: 3.0 | | upstream | Return the `Reactor` or `Reservoir` object upstream of the flow device. | | .. versionadded:: 3.1 | | ---------------------------------------------------------------------- | Methods inherited from ConnectorNode: | | __copy__(self) | | __reduce__(self) | | ---------------------------------------------------------------------- | Data descriptors inherited from ConnectorNode: | | edge_attr | A dictionary containing draw attributes for the representation of the `WallBase` as | a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable | attributes. | | .. versionadded:: 3.1 | | name | The name of the connector. | | type | The type of the connector.
cantera.Methane
Python Library Documentation: function Methane in module cantera.liquidvapor
Methane() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for methane.
The object returned by this method implements an accurate equation of
state for methane that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::methane` in the
Cantera C++ source code documentation.
cantera.Mixture
Python Library Documentation: class Mixture in module cantera.mixture
class Mixture(builtins.object)
| Class Mixture represents mixtures of one or more phases of matter. To
| construct a mixture, supply a list of phases to the constructor, each
| paired with the number of moles for that phase::
|
| >>> gas = cantera.Solution("gas.yaml")
| >>> gas.species_names
| ['H2', 'H', 'O2', 'O', 'OH']
| >>> graphite = cantera.Solution("graphite.yaml")
| >>> graphite.species_names
| ['C(g)']
| >>> mix = cantera.Mixture([(gas, 1.0), (graphite, 0.1)])
| >>> mix.species_names
| ['H2', 'H', 'O2', 'O', 'OH', 'C(g)']
|
| Note that the objects representing each phase compute only the intensive
| state of the phase -- they do not store any information on the amount of
| this phase. Mixture objects, on the other hand, represent the full
| extensive state.
|
| .. caution::
| The Mixture class exists mainly for the purpose of providing input for multiphase
| equilibrium calculations. Its functionality for modifying the state of the
| mixture and computing properties is quite limited. Mixture objects cannot be used
| in conjunction with reactor networks.
|
| Furthermore, the multiphase equilibrium solvers currently have a number of
| problems that lead to solver failures or incorrect results for some inputs. See
| the `list of issues on GitHub <https://github.com/Cantera/cantera/issues?q=is%3Aopen+is%3Aissue+label%3AEquilibrium>`_
| for more information.
|
| Mixture objects are 'lightweight' in the sense that they do not store
| parameters needed to compute thermodynamic or kinetic properties of the
| phases. These are contained in the ('heavyweight') phase objects. Multiple
| mixture objects may be constructed using the same set of phase objects.
| Each one stores its own state information locally, and synchronizes the
| phases objects whenever it requires phase properties.
|
| Methods defined here:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| element_index(self, element)
| Index of element with name 'element'.
|
| >>> mix.element_index('H')
| 2
|
| element_moles(self, e)
| Total number of moles of element ``e``, summed over all species.
| The element may be referenced either by index number or by name.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair ``XY``
| constant. This method uses a version of the VCS algorithm to find the
| composition that minimizes the total Gibbs free energy of the mixture,
| subject to element conservation constraints. For a description of the
| theory, see Smith and Missen, "Chemical Reaction Equilibrium."
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP', 'HP', 'SP']
| :param solver: Set to either 'auto', 'vcs', or 'gibbs' to choose
| implementation of the solver to use. 'vcs' uses the solver
| implemented in the C++ class 'VCSnonideal', 'gibbs' uses the one
| implemented in class 'MultiPhaseEquil'. 'auto' will try the 'vcs'
| solver first and then the 'gibbs' solver if that fails.
| :param rtol:
| Error tolerance. Iteration will continue until (Delta mu)/RT is
| less than this value for each reaction. Note that this default is
| very conservative, and good equilibrium solutions may be obtained
| with larger error tolerances.
| :param max_steps:
| Maximum number of steps to take while solving the equilibrium
| problem for specified *T* and *P*.
| :param max_iter:
| Maximum number of temperature and/or pressure iterations.
| This is only relevant if a property pair other than (T,P) is
| specified.
| :param estimate_equil:
| Flag indicating whether the solver should estimate its own initial
| condition. If 0, the initial mole fraction vector in the phase
| objects are used as the initial condition. If 1, the initial mole
| fraction vector is used if the element abundances are satisfied.
| if -1, the initial mole fraction vector is thrown out, and an
| estimate is formulated.
| :param log_level:
| Determines the amount of output displayed during the solution
| process. 0 indicates no output, while larger numbers produce
| successively more verbose information.
|
| n_atoms(self, k, m)
| Number of atoms of element ``m`` in the species with global index ``k``.
| The element may be referenced either by name or by index.
|
| >>> n = mix.n_atoms(3, 'H')
| 4.0
|
| phase(self, n)
| Return the ThermoPhase object for phase number ``n`` in the mixture.
|
| phase_charge(self, p)
| The charge of phase ``p`` in Coulombs.
|
| phase_index(self, p)
| Index of the phase named ``p``.
|
| phase_moles(self, p=None)
| Moles in phase ``p``, if ``p`` is specified, otherwise the number of
| moles in all phases.
|
| report(self, threshold=1e-14)
| Generate a report describing the thermodynamic state of this mixture. To
| print the report to the screen, simply call the mixture object. The
| following two statements are equivalent::
|
| >>> mix()
| >>> print(mix.report())
|
| set_phase_moles(self, p, moles)
| Set the number of moles of phase ``p`` to ``moles``.
|
| species_index(self, phase, species)
| :param phase:
| Phase object, index or name
| :param species:
| Species name or index
|
| Returns the global index of species ``species`` in phase ``phase``.
|
| species_name(self, k)
| Name of the species with index ``k``. Note that index numbers
| are assigned in order as phases are added.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| P
| Get or set the Pressure [Pa] of all phases in the mixture. When set,
| the temperature of the mixture is held fixed.
|
| T
| Get or set the Temperature [K] of all phases in the mixture. When set,
| the pressure of the mixture is held fixed.
|
| charge
| The total charge in Coulombs, summed over all phases.
|
| chemical_potentials
| The chemical potentials of all species [J/kmol].
|
| max_temp
| The maximum temperature for which all species in multi-species
| solutions have valid thermo data. Stoichiometric phases are not
| considered in determining max_temp.
|
| min_temp
| The minimum temperature for which all species in multi-species
| solutions have valid thermo data. Stoichiometric phases are not
| considered in determining min_temp.
|
| n_elements
| Total number of elements present in the mixture.
|
| n_phases
| Number of phases
|
| n_species
| Number of species.
|
| phase_names
| Names of all phases in the order added.
|
| species_moles
| Get or set the number of moles of each species. May be set either as a
| string or as an array. If an array is used, it must be dimensioned at
| least as large as the total number of species in the mixture. Note that
| the species may belong to any phase, and unspecified species are set to
| zero.
|
| >>> mix.species_moles = 'C(s):1.0, CH4:2.0, O2:0.2'
|
| species_names
| Get the names of the species from all phases in the mixture
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
cantera.MoleReactor
Python Library Documentation: class MoleReactor in module cantera.reactor
class MoleReactor(Reactor)
| A homogeneous zero-dimensional reactor with a mole based state vector. By default,
| they are closed (no inlets or outlets), have fixed volume, and have adiabatic,
| chemically-inert walls. These properties may all be changed by adding
| appropriate components such as `Wall`, `MassFlowController` and `Valve`.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| MoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'MoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.Mu0Poly
Python Library Documentation: class Mu0Poly in module cantera.speciesthermo class Mu0Poly(SpeciesThermo) | Thermodynamic properties for a species which is parameterized using an | interpolation of the Gibbs free energy based on a piecewise constant heat | capacity approximation. This is a wrapper for the C++ class :ct:`Mu0Poly`. | | :param coeffs: | An array of `2 + 2*npoints` elements, in the following order: | | - `coeffs[0]`: number of points (integer) | - `coeffs[1]`: h^o(298.15 K) [J/kmol] | - `coeffs[2]`: T_1 [Kelvin] | - `coeffs[3]`: \mu^o(T_1) [J/kmol] | - `coeffs[4]`: T_2 [Kelvin] | - `coeffs[5]`: \mu^o(T_2) [J/kmol] | - ... | | Method resolution order: | Mu0Poly | SpeciesThermo | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | derived_type = 64 | | ---------------------------------------------------------------------- | Methods inherited from SpeciesThermo: | | clear_user_data(self) | Clear all saved input data, so that the data given by `input_data` or | `Solution.write_yaml` will only include values generated by Cantera based on | the current object state. | | cp(self, T) | Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*. | | h(self, T) | Molar enthalpy [J/kmol] at temperature *T* | | s(self, T) | Molar entropy [J/kmol/K] at temperature *T* | | update_user_data(self, data) | Add the contents of the provided `dict` as additional fields when generating | YAML phase definition files with `Solution.write_yaml` or in the data returned | by `input_data`. Existing keys with matching names are overwritten. | | ---------------------------------------------------------------------- | Data descriptors inherited from SpeciesThermo: | | coeffs | Array of coefficients for the parameterization. The length of this | array and the meaning of each element depends on the specific | parameterization. | | input_data | Get input data defining this SpeciesThermo object, along with any user-specified | data provided with its input (YAML) definition. | | max_temp | Maximum temperature [K] at which the parameterization is valid. | | min_temp | Minimum temperature [K] at which the parameterization is valid. | | n_coeffs | Number of parameters for the parameterization. | | reference_pressure | Reference pressure [Pa] for the parameterization.
cantera.Nasa9PolyMultiTempRegion
Python Library Documentation: class Nasa9PolyMultiTempRegion in module cantera.speciesthermo class Nasa9PolyMultiTempRegion(SpeciesThermo) | Thermodynamic properties for a species which is parameterized using the | 9-coefficient NASA polynomial form encompassing multiple temperature ranges. | This is a wrapper for the C++ class :ct:`Nasa9PolyMultiTempRegion`. | | :param coeffs: | An array of `1 + 11*nzones` elements, in the following order: | | - `coeffs[0]`: Number of zones (`nzones`) | - `coeffs[1 + 11*zone]`: minimum temperature within zone | - `coeffs[2 + 11*zone]`: maximum temperature within zone | - `coeffs[3:11 + 11*zone]`: 9 coefficients of the parameterization | | where `zone` runs from zero to `nzones-1`. | | Method resolution order: | Nasa9PolyMultiTempRegion | SpeciesThermo | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | derived_type = 513 | | ---------------------------------------------------------------------- | Methods inherited from SpeciesThermo: | | clear_user_data(self) | Clear all saved input data, so that the data given by `input_data` or | `Solution.write_yaml` will only include values generated by Cantera based on | the current object state. | | cp(self, T) | Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*. | | h(self, T) | Molar enthalpy [J/kmol] at temperature *T* | | s(self, T) | Molar entropy [J/kmol/K] at temperature *T* | | update_user_data(self, data) | Add the contents of the provided `dict` as additional fields when generating | YAML phase definition files with `Solution.write_yaml` or in the data returned | by `input_data`. Existing keys with matching names are overwritten. | | ---------------------------------------------------------------------- | Data descriptors inherited from SpeciesThermo: | | coeffs | Array of coefficients for the parameterization. The length of this | array and the meaning of each element depends on the specific | parameterization. | | input_data | Get input data defining this SpeciesThermo object, along with any user-specified | data provided with its input (YAML) definition. | | max_temp | Maximum temperature [K] at which the parameterization is valid. | | min_temp | Minimum temperature [K] at which the parameterization is valid. | | n_coeffs | Number of parameters for the parameterization. | | reference_pressure | Reference pressure [Pa] for the parameterization.
cantera.NasaPoly2
Python Library Documentation: class NasaPoly2 in module cantera.speciesthermo class NasaPoly2(SpeciesThermo) | Thermodynamic properties for a species which is parameterized using the | 7-coefficient NASA polynomial form in two temperature ranges. This is a | wrapper for the C++ class :ct:`NasaPoly2`. | | :param coeffs: | An array of 15 elements, in the following order: | | - `coeffs[0]`: The mid-point temperature [K] between the two | parameterizations | - `coeffs[1:8]`: The 7 coefficients of the high-temperature | parameterization | - `coeffs[8:15]`: The 7 coefficients of the low-temperature | parameterization | | This is the coefficient order used in the standard fixed-format NASA | input files. | | Method resolution order: | NasaPoly2 | SpeciesThermo | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | derived_type = 4 | | ---------------------------------------------------------------------- | Methods inherited from SpeciesThermo: | | clear_user_data(self) | Clear all saved input data, so that the data given by `input_data` or | `Solution.write_yaml` will only include values generated by Cantera based on | the current object state. | | cp(self, T) | Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*. | | h(self, T) | Molar enthalpy [J/kmol] at temperature *T* | | s(self, T) | Molar entropy [J/kmol/K] at temperature *T* | | update_user_data(self, data) | Add the contents of the provided `dict` as additional fields when generating | YAML phase definition files with `Solution.write_yaml` or in the data returned | by `input_data`. Existing keys with matching names are overwritten. | | ---------------------------------------------------------------------- | Data descriptors inherited from SpeciesThermo: | | coeffs | Array of coefficients for the parameterization. The length of this | array and the meaning of each element depends on the specific | parameterization. | | input_data | Get input data defining this SpeciesThermo object, along with any user-specified | data provided with its input (YAML) definition. | | max_temp | Maximum temperature [K] at which the parameterization is valid. | | min_temp | Minimum temperature [K] at which the parameterization is valid. | | n_coeffs | Number of parameters for the parameterization. | | reference_pressure | Reference pressure [Pa] for the parameterization.
cantera.Nitrogen
Python Library Documentation: function Nitrogen in module cantera.liquidvapor
Nitrogen() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for nitrogen.
The object returned by this method implements an accurate equation of
state for nitrogen that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::nitrogen` in the
Cantera C++ source code documentation.
cantera.Outlet1D
Python Library Documentation: class Outlet1D in module cantera._onedim
class Outlet1D(Boundary1D)
| A one-dimensional outlet. An outlet imposes a zero-gradient boundary
| condition on the flow.
|
| Method resolution order:
| Outlet1D
| Boundary1D
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from Boundary1D:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Boundary1D:
|
| T
| The temperature [K] at this boundary.
|
| X
| Species mole fractions at this boundary. May be set as either a string
| or as an array.
|
| Y
| Species mass fractions at this boundary. May be set as either a string
| or as an array.
|
| mdot
| The mass flow rate per unit area [kg/s/m²]
|
| spread_rate
| Get/set the tangential velocity gradient [1/s] at this boundary.
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.OutletReservoir1D
Python Library Documentation: class OutletReservoir1D in module cantera._onedim
class OutletReservoir1D(Boundary1D)
| A one-dimensional outlet into a reservoir.
|
| Method resolution order:
| OutletReservoir1D
| Boundary1D
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from Boundary1D:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Boundary1D:
|
| T
| The temperature [K] at this boundary.
|
| X
| Species mole fractions at this boundary. May be set as either a string
| or as an array.
|
| Y
| Species mass fractions at this boundary. May be set as either a string
| or as an array.
|
| mdot
| The mass flow rate per unit area [kg/s/m²]
|
| spread_rate
| Get/set the tangential velocity gradient [1/s] at this boundary.
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.Oxygen
Python Library Documentation: function Oxygen in module cantera.liquidvapor
Oxygen() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for oxygen.
The object returned by this method implements an accurate equation of
state for oxygen that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::oxygen` in the
Cantera C++ source code documentation.
cantera.PlogRate
Python Library Documentation: class PlogRate in module cantera.reaction
class PlogRate(ReactionRate)
| A pressure-dependent reaction rate parameterized by logarithmically
| interpolating between Arrhenius rate expressions at various pressures.
|
| Method resolution order:
| PlogRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and pressure.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| rates
| Get/Set the rate coefficients for this reaction, which are given as a
| list of (pressure, `ArrheniusRate`) tuples.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.PressureController
Python Library Documentation: class PressureController in module cantera.reactor
class PressureController(FlowDevice)
| A PressureController is designed to be used in conjunction with another
| primary flow controller, typically a `MassFlowController`. The primary
| flow controller is installed on the inlet of the reactor, and the
| corresponding `PressureController` is installed on the outlet of the
| reactor. The `PressureController` mass flow rate is equal to the primary
| mass flow rate, plus a small correction dependent on the pressure
| difference:
|
| .. math:: \dot m = \dot m_{\rm primary} + K_v(P_1 - P_2).
|
| As an alternative, an arbitrary function of pressure differential can be
| specified using the `pressure_function` property, such that
|
| .. math:: \dot m = \dot m_{\rm primary} + K_v*f(P_1 - P_2)
|
| where :math:`f` is the arbitrary function of a single argument.
|
| Method resolution order:
| PressureController
| FlowDevice
| ConnectorNode
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| pressure_coeff
| Get/set the proportionality constant :math:`K_v` [kg/s/Pa] between the
| pressure drop and the mass flow rate.
|
| primary
| Primary `FlowDevice` used to compute this device's mass flow rate.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| node_type = 'PressureController'
|
| ----------------------------------------------------------------------
| Methods inherited from FlowDevice:
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None)
| Draw as connection between upstream and downstream reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this flow
| controller connection.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlowDevice:
|
| device_coefficient
| Device coefficient (defined by derived class).
|
| Example:
|
| >>> v = Valve(res1, reactor1)
| >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient'
|
| .. versionadded:: 3.2
|
| downstream
| Return the `Reactor` or `Reservoir` object downstream of the flow device.
|
| .. versionadded:: 3.1
|
| mass_flow_rate
| Get the mass flow rate [kg/s] through this device at the current reactor
| network time.
|
| pressure_function
| The relationship between mass flow rate and the pressure drop across a flow
| device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and
| a coefficient set by a flow device specific function. Unless a user-defined
| pressure function is provided, the function returns the pressure difference
| across the device. The calculation of mass flow rate depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.pressure_function = lambda dP: dP**2
|
| where `FlowDevice` is either a `Valve` or `PressureController` object.
|
| .. versionadded:: 3.0
|
| time_function
| The time dependence of a flow device. The mass flow rate [kg/s] is calculated
| for a Flow device, and multiplied by a function of time, which returns 1.0
| unless a user-defined function is provided. The calculation of mass flow rate
| depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2)
|
| where `FlowDevice` is either a `Valve` or `MassFlowController` object.
|
| .. versionadded:: 3.0
|
| upstream
| Return the `Reactor` or `Reservoir` object upstream of the flow device.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
cantera.PureFluid
Python Library Documentation: class PureFluid in module cantera.thermo
class PureFluid(ThermoPhase)
| A pure substance that can be a gas, a liquid, a mixed gas-liquid fluid,
| or a fluid beyond its critical point.
|
| Method resolution order:
| PureFluid
| ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| DPQ
| Get the density [kg/m³], pressure [Pa], and vapor fraction.
|
| HPQ
| Get the enthalpy [J/kg or J/kmol], pressure [Pa] and vapor fraction.
|
| PQ
| Get/Set the pressure [Pa] and vapor fraction of a two-phase state.
|
| PV
| Get/Set the pressure [Pa] and specific volume [m³/kg] of a PureFluid.
|
| Q
| Get/Set vapor fraction (quality). Can be set only when in the two-phase
| region.
|
| SH
| Get/Set the specific entropy [J/kg/K] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| SPQ
| Get the entropy [J/kg/K or J/kmol/K], pressure [Pa], and vapor fraction.
|
| ST
| Get/Set the entropy [J/kg/K] and temperature [K] of a PureFluid.
|
| SVQ
| Get the entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or
| m³/kmol], and vapor fraction.
|
| TDQ
| Get the temperature [K], density [kg/m³ or kmol/m³], and vapor fraction.
|
| TH
| Get/Set the temperature [K] and the specific enthalpy [J/kg]
| of a PureFluid.
|
| TPQ
| Get/Set the temperature [K], pressure [Pa], and vapor fraction of a
| PureFluid.
|
| An Exception is raised if the thermodynamic state is not consistent.
|
| TQ
| Get/Set the temperature [K] and vapor fraction of a two-phase state.
|
| TV
| Get/Set the temperature [K] and specific volume [m³/kg] of a PureFluid.
|
| UP
| Get/Set the specific internal energy [J/kg] and the
| pressure [Pa] of a PureFluid.
|
| UVQ
| Get the internal energy [J/kg or J/kmol], specific volume
| [m³/kg or m³/kmol], and vapor fraction.
|
| VH
| Get/Set the specific volume [m³/kg] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.Quantity
Python Library Documentation: class Quantity in module cantera.composite
class Quantity(builtins.object)
| Quantity(phase, mass=None, moles=None, constant='UV')
|
| A class representing a specific quantity of a `Solution`. In addition to the
| properties which can be computed for class `Solution`, class `Quantity`
| provides several additional capabilities. A `Quantity` object is created
| from a `Solution` with either the mass or number of moles specified::
|
| >>> gas = ct.Solution('gri30.yaml')
| >>> gas.TPX = 300, 5e5, 'O2:1.0, N2:3.76'
| >>> q1 = ct.Quantity(gas, mass=5) # 5 kg of air
|
| The state of a `Quantity` can be changed in the same way as a `Solution`::
|
| >>> q1.TP = 500, 101325
|
| Quantities have properties which provide access to extensive properties::
|
| >>> q1.volume
| 7.1105094
| >>> q1.enthalpy
| 1032237.84
|
| The size of a `Quantity` can be changed by setting the mass or number of
| moles::
|
| >>> q1.moles = 3
| >>> q1.mass
| 86.552196
| >>> q1.volume
| 123.086
|
| or by multiplication::
|
| >>> q1 *= 2
| >>> q1.moles
| 6.0
|
| Finally, Quantities can be added, providing an easy way of calculating the
| state resulting from mixing two substances::
|
| >>> q1.mass = 5
| >>> q2 = ct.Quantity(gas)
| >>> q2.TPX = 300, 101325, 'CH4:1.0'
| >>> q2.mass = 1
| >>> q3 = q1 + q2 # combine at constant UV
| >>> q3.T
| 432.31234
| >>> q3.P
| 97974.9871
| >>> q3.mole_fraction_dict()
| {'CH4': 0.26452900448117395,
| 'N2': 0.5809602821745349,
| 'O2': 0.1545107133442912}
|
| If a different property pair should be held constant when combining, this
| can be specified as follows::
|
| >>> q1.constant = q2.constant = 'HP'
| >>> q3 = q1 + q2 # combine at constant HP
| >>> q3.T
| 436.03320
| >>> q3.P
| 101325.0
|
| Methods defined here:
|
| __add__(self, other)
|
| __iadd__(self, other)
|
| __imul__(self, other)
|
| __init__(self, phase, mass=None, moles=None, constant='UV')
| Initialize self. See help(type(self)) for accurate signature.
|
| __mul__(self, other)
|
| __rmul__(self, other)
|
| add_reaction = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Add a new reaction to this phase.
|
| add_species = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Atomic weight [kg/kmol] of element ``m``
|
| clear_user_data = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| element_index = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Name of the element with index ``m``.
|
| elemental_mass_fraction = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY=None, *args, **kwargs)
| Set the state to equilibrium. By default, the property pair
| `self.constant` is held constant. See `ThermoPhase.equilibrate`.
|
| equivalence_ratio = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Find species/isomers matching a composition specified by ``comp``.
|
| get_binary_diff_coeffs_polynomial = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| kinetics_species_index = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| mass_fraction_dict = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_reaction = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| modify_species = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| multiplier = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| n_atoms = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| product_stoich_coeff = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| report = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_binary_diff_coeffs_polynomial = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_discretized_electron_energy_distribution = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_multiplier = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| set_thermal_conductivity_polynomial = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| species = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| update_user_data = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml = f(self, *args, **kwargs) from cantera.composite._method.<locals>
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| G
| Get the total Gibbs free energy [J] represented by the `Quantity`.
|
| H
| Get the total enthalpy [J] represented by the `Quantity`.
|
| S
| Get the total entropy [J/K] represented by the `Quantity`.
|
| U
| Get the total internal energy [J] represented by the `Quantity`.
|
| V
| Get the total volume [m³] represented by the `Quantity`.
|
| enthalpy
| Get the total enthalpy [J] represented by the `Quantity`.
|
| entropy
| Get the total entropy [J/K] represented by the `Quantity`.
|
| gibbs
| Get the total Gibbs free energy [J] represented by the `Quantity`.
|
| int_energy
| Get the total internal energy [J] represented by the `Quantity`.
|
| phase
| Get the underlying `Solution` object, with the state set to match the
| wrapping `Quantity` object.
|
| volume
| Get the total volume [m³] represented by the `Quantity`.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| constant
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| mass
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| moles
| Get/Set the number of moles [kmol] represented by the `Quantity`.
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| quadrature_method
| Quadrature method
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| sound_speed
| Speed of sound [m/s].
|
| source
| The source of this object (such as a file name).
|
| species_names
| A list of all the species names.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| viscosity
| Viscosity [Pa-s].
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
cantera.ReactingSurface1D
Python Library Documentation: class ReactingSurface1D in module cantera._onedim
class ReactingSurface1D(Boundary1D)
| A reacting solid surface.
|
| :param phase:
| The (surface) phase corresponding to the boundary
|
| .. versionchanged:: 3.0
|
| Starting in Cantera 3.0, parameter `phase` should reference surface instead of
| gas phase.
|
| Method resolution order:
| ReactingSurface1D
| Boundary1D
| Domain1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| coverage_enabled
| Controls whether or not to solve the surface coverage equations.
|
| phase
| Get the `Interface` object representing species and reactions on the surface
|
| surface
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Boundary1D:
|
| T
| The temperature [K] at this boundary.
|
| X
| Species mole fractions at this boundary. May be set as either a string
| or as an array.
|
| Y
| Species mass fractions at this boundary. May be set as either a string
| or as an array.
|
| mdot
| The mass flow rate per unit area [kg/s/m²]
|
| spread_rate
| Get/set the tangential velocity gradient [1/s] at this boundary.
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.Reaction
Python Library Documentation: class Reaction in module cantera.reaction
class Reaction(builtins.object)
| A class which stores data about a reaction and its rate parameterization so
| that it can be added to a `Kinetics` object.
|
| :param reactants:
| Value used to set `reactants`
| :param products:
| Value used to set `products`
| :param rate:
| The rate parameterization for the reaction, given as one of the following:
|
| - a `ReactionRate` object
| - a `dict` containing the parameters needed to construct a `ReactionRate`
| object, with keys corresponding to the YAML format
| - a `dict` containing Arrhenius parameters (``A``, ``b``, and ``Ea``)
| :param equation:
| The reaction equation, used to set the reactants and products if values for
| those arguments are not provided.
|
| Examples::
|
| R = ct.Reaction({"O": 1, "H2": 1}, {"H": 1, "OH": 1},
| ct.ArrheniusRate(38.7, 2.7, 26191840.0))
| R = ct.Reaction(equation="O + H2 <=> H + OH",
| rate={"A": 38.7, "b": 2.7, "Ea": 26191840.0})
| R = ct.Reaction(equation="HO2 <=> OH + O", rate=ChebyshevRate(...))
|
| The static method `list_from_file` can be used to create a list of `Reaction`
| objects from existing definitions in the YAML format. The following will produce a
| list of the 325 reactions which make up the GRI 3.0 mechanism::
|
| R = ct.Reaction.list_from_file("gri30.yaml", gas)
|
| where `gas` is a `Solution` object with the appropriate thermodynamic model,
| which is the `ideal-gas` model in this case.
|
| The static method `list_from_yaml` can be used to create lists of `Reaction`
| objects from a YAML list::
|
| rxns = '''
| - equation: O + H2 <=> H + OH
| rate-constant: {A: 3.87e+04, b: 2.7, Ea: 6260.0}
| - equation: O + HO2 <=> OH + O2
| rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
| '''
| R = ct.Reaction.list_from_yaml(rxns, gas)
|
| The method `from_yaml` can be used to create individual `Reaction` objects from
| definitions in the YAML format. It is important to verify that either the
| pre-exponential factor and activation energy are supplied in SI units, or
| that they have their units specified::
|
| R = ct.Reaction.from_yaml('''{equation: O + H2 <=> H + OH,
| rate-constant: {A: 3.87e+04 cm^3/mol/s, b: 2.7, Ea: 6260 cal/mol}}''',
| gas)
|
| Methods defined here:
|
| __contains__(self, key, /)
| Return bool(key in self).
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| __str__(self, /)
| Return str(self).
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| from_dict(data, kinetics, hyphenize=True)
| Create a `Reaction` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a Reaction from a dictionary is::
|
| rxn = Reaction.from_dict(
| {"equation": "O + H2 <=> H + OH",
| "rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}},
| kinetics=gas)
|
| In the example, ``gas`` is a Kinetics (or Solution) object.
|
| :param data:
| A dictionary corresponding to the YAML representation.
| :param kinetics:
| A `Kinetics` object whose associated phase(s) contain the species
| involved in the reaction.
|
| from_yaml(text, kinetics)
| Create a `Reaction` object from its YAML string representation.
|
| An example for the creation of a Reaction from a YAML string is::
|
| rxn = Reaction.from_yaml('''
| equation: O + H2 <=> H + OH
| rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}
| ''', kinetics=gas)
|
| In the example, ``gas`` is a Kinetics (or Solution) object.
|
| :param text:
| The YAML reaction string.
| :param kinetics:
| A `Kinetics` object whose associated phase(s) contain the species
| involved in the reaction.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| list_from_file(filename, kinetics, section='reactions')
| Create a list of Reaction objects from all of the reactions defined in a
| YAML file. Reactions from the section ``section`` will be returned.
|
| Directories on Cantera's input file path will be searched for the
| specified file.
|
| list_from_yaml(text, kinetics)
| Create a list of `Reaction` objects from all the reactions defined in a
| YAML string.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| ID
| Get/Set the identification string for the reaction, which can be used in
| filtering operations.
|
| allow_negative_orders
| Get/Set a flag which is `True` if negative reaction orders are allowed.
| Default is `False`.
|
| allow_nonreactant_orders
| Get/Set a flag which is `True` if reaction orders can be specified for
| non-reactant species. Default is `False`.
|
| duplicate
| Get/Set a flag which is `True` if this reaction is marked as a duplicate
| or `False` otherwise.
|
| equation
| A string giving the chemical equation for this reaction. Determined
| automatically based on `reactants` and `products`.
|
| input_data
| Get input data for this reaction with its current parameter values,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| orders
| Get/Set the reaction order with respect to specific species as a dict
| with species names as the keys and orders as the values, or as a
| composition string. By default, mass-action kinetics is assumed, with
| the reaction order for each reactant species equal to each its
| stoichiometric coefficient.
|
| product_string
| A string representing the products side of the chemical equation for
| this reaction. Determined automatically based on `products`.
|
| products
| Get/Set the products in this reaction as a dict where the keys are
| species names and the values, are the stoichiometric coefficients, for example
| ``{'CH3':1, 'H2O':1}``, or as a composition string, for example
| ``'CH3:1, H2O:1'``.
|
| .. versionchanged:: 3.1 This is a read-only property
|
| rate
| Get/Set the reaction rate evaluator for this reaction.
|
| rate_coeff_units
| Get reaction rate coefficient units
|
| reactant_string
| A string representing the reactants side of the chemical equation for
| this reaction. Determined automatically based on `reactants`.
|
| reactants
| Get/Set the reactants in this reaction as a dict where the keys are
| species names and the values, are the stoichiometric coefficients, for example
| ``{'CH4':1, 'OH':1}``, or as a composition string, for example
| ``'CH4:1, OH:1'``.
|
| .. versionchanged:: 3.1 This is a read-only property
|
| reaction_type
| Retrieve the native type name of the reaction.
|
| reversible
| Get/Set a flag which is `True` if this reaction is reversible or `False`
| otherwise.
|
| third_body
| Returns a `ThirdBody` object if `Reaction` uses a third body collider, and
| ``None`` otherwise.
|
| .. versionadded:: 3.0
|
| third_body_name
| Returns name of `ThirdBody` collider if `Reaction` uses a third body collider,
| and ``None`` otherwise.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
cantera.ReactionPathDiagram
Python Library Documentation: class ReactionPathDiagram in module cantera.reactionpath class ReactionPathDiagram(builtins.object) | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | add(self, other) | Add fluxes from `other` to this diagram | | build(self, verbose=False) | Build the reaction path diagram. Called automatically by methods which | return representations of the diagram, for example `write_dot()`. | | display_only(self, k) | Include only species and fluxes that are directly connected to the | species with index ``k``. Set to -1 to include all species. | | get_data(self) | Get a (roughly) human-readable representation of the reaction path diagram. | | get_dot(self) | Return a string containing the reaction path diagram formatted for use | by Graphviz's 'dot' program. | | write_dot(self, filename) | Write the reaction path diagram formatted for use by Graphviz's 'dot' | program to the file named ``filename``. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | arrow_width | Get/Set the arrow width. If < 0, then scale with flux value. | | bold_color | Get/Set the color for bold lines | | bold_threshold | Get/Set the minimum relative flux for bold lines | | dashed_color | Get/Set the color for dashed lines | | dot_options | Get/Set options for the 'dot' program | | flow_type | Get/Set the way flows are drawn. Either 'NetFlow' or 'OneWayFlow' | | font | Get/Set the name of the font used | | label_threshold | Get/Set the minimum relative flux for labels | | log | Logging messages generated while building the reaction path diagram | | normal_color | Get/Set the color for normal-weight lines | | normal_threshold | Get/Set the maximum relative flux for dashed lines | | scale | Get/Set the scaling factor for the fluxes. Set to -1 to normalize by the | maximum net flux. | | show_details | Get/Set whether to show the details of which reactions contribute to the flux. | | threshold | Get/Set the threshold for the minimum flux relative value that will be plotted. | | title | Get/Set the diagram title
cantera.ReactionRate
Python Library Documentation: class ReactionRate in module cantera.reaction
class ReactionRate(builtins.object)
| Base class for ReactionRate objects.
|
| ReactionRate objects are used to calculate reaction rates and are associated
| with a Reaction object.
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
cantera.Reactor
Python Library Documentation: class Reactor in module cantera.reactor
class Reactor(ReactorBase)
| A homogeneous zero-dimensional reactor. By default, they are closed
| (no inlets or outlets), have fixed volume, and have adiabatic,
| chemically-inert walls. These properties may all be changed by adding
| appropriate components such as `Wall`, `MassFlowController` and `Valve`.
|
| Method resolution order:
| Reactor
| ReactorBase
| builtins.object
|
| Methods defined here:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'Reactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
cantera.ReactorBase
Python Library Documentation: class ReactorBase in module cantera.reactor class ReactorBase(builtins.object) | Common base class for reactors and reservoirs. | | Methods defined here: | | __copy__(self) | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | __reduce__(self) | | add_sensitivity_reaction(self, m) | Specifies that the sensitivity of the state variables with respect to | reaction ``m`` should be computed. ``m`` is the 0-based reaction index. | The reactor must be part of a network first. Specifying the same | reaction more than one time raises an exception. | | draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent') | Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if | provided. Optionally include current reactor state in the node. | | :param graph: | ``graphviz.graphs.BaseGraph`` object to which the reactor is added. | If not provided, a new ``DiGraph`` is created. Defaults to ``None``. | :param graph_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the general appearance of the drawn network. | See https://graphviz.org/docs/graph/ for a list of all usable attributes. | :param node_attr: | Attributes to be passed to the ``node`` method invoked to draw the reactor. | See https://graphviz.org/docs/nodes/ for a list of all usable attributes. | :param print_state: | Whether state information of the reactor is printed into the node. | Defaults to ``False``. | :param species: | If ``print_state`` is ``True``, define how species are to be printed. | Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species, | respectively, or an iterable that contains the desired species names as | strings. Defaults to ``None``. | :param species_units: | Defines the units the species are displayed in as either ``"percent"`` or | ``"ppm"``. Defaults to ``"percent"``. | :return: | ``graphviz.graphs.BaseGraph`` object with reactor | | .. versionadded:: 3.1 | | insert(self, solution) | Set ``solution`` to be the object used to compute thermodynamic | properties and kinetic rates for this reactor. | | .. deprecated:: 3.2 | | After Cantera 3.2, a change of reactor contents after instantiation | will be disabled and this method will be removed. | | syncState(self) | Set the state of the Reactor to match that of the associated | `ThermoPhase` object. After calling syncState(), call | ReactorNet.reinitialize() before further integration. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | T | The temperature [K] of the reactor's contents. | | Y | The mass fractions of the reactor's contents. | | density | The density [kg/m³ or kmol/m³] of the reactor's contents. | | inlets | List of flow devices installed as inlets to this reactor | | mass | The mass of the reactor's contents. | | name | The name of the reactor. | | node_attr | A dictionary containing draw attributes for the representation of the reactor as a | graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable | attributes. | | .. versionadded:: 3.1 | | outlets | List of flow devices installed as outlets to this reactor | | phase | The `Solution` object representing the reactor's contents. | | .. versionchanged:: 3.2 | Renamed from ``thermo``. | | surfaces | List of reacting surfaces installed on this reactor | | thermo | The `ThermoPhase` object representing the reactor's contents. | | .. deprecated:: 3.2 | Renamed to ``phase`` | | type | The type of the reactor. | | volume | The volume [m³] of the reactor. | | walls | List of walls installed on this reactor | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | reactor_type = 'none'
cantera.ReactorNet
Python Library Documentation: class ReactorNet in module cantera.reactor
class ReactorNet(builtins.object)
| Networks of reactors. ReactorNet objects are used to simultaneously
| advance the state of one or more coupled reactors.
|
| Example:
|
| >>> r1 = Reactor(gas1)
| >>> r2 = Reactor(gas2)
| >>> <... install walls, inlets, outlets, etc...>
|
| >>> reactor_network = ReactorNet([r1, r2])
| >>> reactor_network.advance(time)
|
| Methods defined here:
|
| __copy__(self)
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__(self)
|
| add_reactor(self, r)
| Add a reactor to the network.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor net contents after instantiation
| will be disabled and this method will be removed.
|
| advance(self, t, apply_limit=True)
| Advance the state of the reactor network from the current time/distance towards
| the specified value ``t`` of the independent variable, which depends on the type
| of reactors included in the network.
|
| The integrator will take as many steps as necessary to reach ``t``. If
| ``apply_limit`` is true and an advance limit is specified, the reactor state at
| the end of the step is estimated prior to advancing. If the difference exceed
| limits, the end value is reduced by half until the projected end state remains
| within specified limits. Returns the time/distance reached at the end of
| integration.
|
| advance_to_steady_state(self, max_steps=10000, residual_threshold=0.0, atol=0.0, return_residuals=False)
| Advance the reactor network in time until steady state is reached.
|
| The steady state is defined by requiring that the state of the system
| only changes below a certain threshold. The residual is computed using
| feature scaling:
|
| .. math:: r = \left| \frac{x(t + \Delta t) - x(t)}{\text{max}(x) + \text{atol}} \right| \cdot \frac{1}{\sqrt{n_x}}
|
| :param max_steps:
| Maximum number of steps to be taken
| :param residual_threshold:
| Threshold below which the feature-scaled residual r should drop such
| that the network is defines as steady state. By default,
| residual_threshold is 10 times the solver rtol.
| :param atol:
| The smallest expected value of interest. Used for feature scaling.
| By default, this atol is identical to the solver atol.
| :param return_residuals:
| If set to `True`, this function returns the residual time series
| as a vector with length `max_steps`.
|
| component_name(self, i)
| Return the name of the i-th component of the global state vector. The
| name returned includes both the name of the reactor and the specific
| component, for example `'reactor1: CH4'`.
|
| draw(self, *, graph_attr=None, node_attr=None, edge_attr=None, heat_flow_attr=None, mass_flow_attr=None, moving_wall_edge_attr=None, surface_edge_attr=None, show_wall_velocity=True, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz.graphs.DiGraph``. Connecting flow controllers and
| walls are depicted as arrows.
|
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| ``node_attr`` defined in the reactor object itself have priority.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``edge`` (flow controllers, walls).
| ``edge_attr`` defined in the connection objects (subclasses of `FlowDevice`
| or walls) themselves have priority.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :param heat_flow_attr:
| Same as ``edge_attr`` but only applied to edges representing walls.
| Default is ``{"color": "red", "style": "dashed"}``.
| :param mass_flow_attr:
| Same as ``edge_attr`` but only applied to edges representing `FlowDevice`
| objects.
| :param moving_wall_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing wall movement.
| :param surface_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing connections
| between `ReactorSurface` objects and reactors.
| Default is ``{"style": "dotted", "arrowhead": "none"}``.
| :param show_wall_velocity:
| If ``True``, wall movement will be indicated by additional arrows with the
| corresponding wall velocity as a label.
| :param print_state:
| Whether state information of the reactors is printed into each node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor net.
|
| .. versionadded:: 3.1
|
| get_derivative(self, k)
| Get the k-th derivative of the state vector of the reactor network with respect
| to the independent integrator variable (time/distance).
|
| get_state(self)
| Get the combined state vector of the reactor network.
|
| The combined state vector consists of the concatenated state vectors of
| all entities contained.
|
| global_component_index(self, name, reactor)
| Returns the index of a component named ``name`` of a reactor with index
| ``reactor`` within the global state vector. That is, this determines the
| absolute index of the component, where ``reactor`` is the index of the
| reactor that holds the component. ``name`` is either a species name or the
| name of a reactor state variable, for example, ``'int_energy'``, ``'temperature'``, etc.
| depending on the reactor's equations.
|
| initialize(self)
| Force initialization of the integrator after initial setup.
|
| reinitialize(self)
| Reinitialize the integrator after making changing to the state of the
| system. Changes to Reactor contents will automatically trigger
| reinitialization.
|
| sensitivities(self)
| Returns the sensitivities of all of the solution variables with respect
| to all of the registered parameters. The normalized sensitivity
| coefficient :math:`S_{ki}` of the solution variable :math:`y_k` with
| respect to sensitivity parameter :math:`p_i` is defined as:
|
| .. math:: S_{ki} = \frac{p_i}{y_k} \frac{\partial y_k}{\partial p_i}
|
| For reaction sensitivities, the parameter is a multiplier on the forward
| rate constant (and implicitly on the reverse rate constant for
| reversible reactions).
|
| The sensitivities are returned in an array with dimensions *(n_vars,
| n_sensitivity_params)*, unless no integration steps have been taken, in which
| case the shape is *(0, n_sensitivity_params)*. The order of the
| variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| sensitivity(self, component, p, r=0)
| Returns the sensitivity of the solution variable ``component`` in
| reactor ``r`` with respect to the parameter ``p``. ``component`` can be a
| string or an integer. See `component_index` and `sensitivities` to
| determine the integer index for the variables and the definition of the
| resulting sensitivity coefficient. If it is not given, ``r`` defaults to
| the first reactor. Returns an empty array until the first integration step is
| taken.
|
| sensitivity_parameter_name(self, p)
| Name of the sensitivity parameter with index ``p``.
|
| solve_steady(self, loglevel=0)
| Solve directly for the steady-state solution. This approach is generally more
| efficient than time marching to the steady-state (using the
| `advance_to_steady_state` method), but imposes a few limitations:
|
| - The volume of control volume reactor types (such as `Reactor` and
| `IdealGasMoleReactor`) must be constant; no moving walls can be used.
| - The mass of constant pressure reactor types (such as `ConstPressureReactor`
| and `IdealGasConstPressureReactor`) must be constant; if flow devices are
| used, inlet and outlet flows must be balanced.
| - The solver is currently not compatible with the `ConstPressureMoleReactor` or
| `IdealGasConstPressureMoleReactor` classes.
| - Only ideal gas reactor types can be used for when the energy equation is
| disabled (fixed temperature simulations).
| - Reacting surfaces are not yet supported.
|
| :param loglevel:
| Print information about solver progress to aid in understanding
| cases where the solver fails to converge. Higher levels are more verbose.
|
| - 0: No logging.
| - 1: Basic info about each steady-state attempt and round of time stepping.
| - 2: Adds details about each time step and steady-state Newton iteration.
| - 3: Adds details about Newton iterations for each time step.
| - 4: Adds details about state variables that are limiting steady-state
| Newton step sizes.
| - 5: Adds details about state variables that are limiting time-stepping
| Newton step sizes.
| - 6: Print current state vector after different solver stages
| - 7: Print current residual vector after different solver stages
|
| Uses the hybrid time marching / damped Newton's method solver implemented by
| classes :ct:`SteadyStateSystem` and :ct:`MultiNewton`.
|
| .. versionadded:: 3.2
|
| steady_jacobian(self, rdt=0.0)
| Get the Jacobian used by the steady-state solver.
|
| :param rdt:
| Reciprocal of the pseudo-timestep [1/s]. Default of 0.0 returns the
| steady-state Jacobian.
|
| .. versionadded:: 3.2
|
| step(self)
| Take a single internal step. The time/distance after taking the step is
| returned.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| advance_limits
| Get or set absolute limits for state changes during `ReactorNet.advance`
| (positive values are considered; negative values disable a previously
| set advance limit for a solution component). Note that limits are
| disabled by default (with individual values set to -1.).
|
| atol
| The absolute error tolerance used while integrating the reactor
| equations.
|
| atol_sensitivity
| The absolute error tolerance for sensitivity analysis.
|
| derivative_settings
| Apply derivative settings to all reactors in the network.
| See also `Kinetics.derivative_settings`.
|
| distance
| The current distance [m] along the length of the reactor network, for reactors
| that are solved as a function of space.
|
| include_algebraic_in_error_test
| Get/Set whether to include algebraic variables in the in the local error test.
| Applicable only to DAE systems. The default is `True`.
|
| initial_time
| The initial time of the integrator. When set, integration is restarted from this
| time using the current state as the initial condition. Default: 0.0 s.
|
| .. versionadded:: 3.0
|
| linear_solver_type
| The type of linear solver used in integration.
|
| Options for this property include:
|
| - `"DENSE"`
| - `"GMRES"`
| - `"BAND"`
| - `"DIAG"`
|
| max_err_test_fails
| The maximum number of error test failures permitted by the CVODES integrator
| in a single step. The default is 10.
|
| max_nonlinear_convergence_failures
| Get/Set the maximum number of nonlinear solver convergence failures permitted in
| one step of the SUNDIALS integrator. The default value is 10.
|
| max_nonlinear_iterations
| Get/Set the maximum number of nonlinear solver iterations permitted by the
| SUNDIALS solver in one solve attempt. The default value is 4.
|
| max_order
| Get/Set the maximum order of the linear multistep method. The default value and
| maximum is 5.
|
| max_steps
| The maximum number of internal integration steps that CVODES
| is allowed to take before reaching the next output point.
|
| max_time_step
| Get/set the maximum time step *t* [s] that the integrator is
| allowed to use. The default value is set to zero, so that no time
| step maximum is used.
|
| n_sensitivity_params
| The number of registered sensitivity parameters.
|
| n_vars
| The number of state variables in the system. This is the sum of the
| number of variables for each `Reactor` and `Wall` in the system.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| `Wall`: number of surface species
|
| preconditioner
| Preconditioner associated with integrator
|
| reactors
| List of all reactors that are part of the reactor network.
|
| .. versionadded:: 3.1
|
| rtol
| The relative error tolerance used while integrating the reactor
| equations.
|
| rtol_sensitivity
| The relative error tolerance for sensitivity analysis.
|
| solver_stats
| ODE solver stats from integrator
|
| time
| The current time [s], for reactor networks that are solved in the time domain.
|
| verbose
| If `True`, verbose debug information will be printed during
| integration. The default is `False`.
cantera.ReactorSurface
Python Library Documentation: class ReactorSurface in module cantera.reactor class ReactorSurface(ReactorBase) | Represents a reacting surface in contact with the contents of one or more reactors. | | :param phase: | The `Interface` object representing reactions on this surface. | :param r: | A `Reactor` or list of `Reactor` objects that this surface is adjacent to. | :param clone: | Determines whether to clone the ``phase`` object used by this reactor so | that the internal state is independent of the original `Solution` (and any | `Solution` objects used by other reactors in the network). | :param name: | Name string. If not specified, the name initially defaults to ``'(none)'`` and | changes to ``'ReactorSurface_n'`` when when associated `Reactor` objects are | installed within a `ReactorNet`. For the latter, *n* is an integer assigned in | the order reactor surfaces are detected. | :param A: | The area of the reacting surface [m²]. | :param node_attr: | Attributes to be passed to the ``node`` method invoked to draw this surface. | See https://graphviz.org/docs/nodes/ for a list of all usable attributes. | | .. versionadded:: 3.1 | Added the ``node_attr`` parameter. | | .. versionchanged:: 3.2 | Handle surfaces that are adjacent to multiple reactors. | | Added the ``clone`` parameter with the default value ``None`` indicating that | contents will not be cloned. After Cantera 3.2, this default will change to | be ``True``. Specify ``False`` to retain the old behavior and suppress a | deprecation warning. | | Method resolution order: | ReactorSurface | ReactorBase | builtins.object | | Methods defined here: | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | draw(self, graph=None, *, graph_attr=None, node_attr=None, surface_edge_attr=None, print_state=False, species=None, species_units='percent') | Draw the surface as a ``graphviz`` ``dot`` node connected to its reactor. | The node is added to an existing ``graph`` if provided. | Optionally include current reactor state in the reactor node. | | :param graph: | ``graphviz.graphs.BaseGraph`` object to which the reactor is added. | If not provided, a new ``DiGraph`` is created. Defaults to ``None``. | :param graph_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the general appearance of the drawn network. | See https://graphviz.org/docs/graph/ for a list of all usable attributes. | :param node_attr: | Attributes to be passed to the ``node`` method invoked to draw the reactor. | See https://graphviz.org/docs/nodes/ for a list of all usable attributes. | :param surface_edge_attr: | Attributes to be passed to the ``edge`` method invoked to draw the | connection between the surface and its reactor. | See https://graphviz.org/docs/edges/ for a list of all usable attributes. | :param print_state: | Whether state information of the reactor is printed into its node. | Defaults to ``False`` | :param species: | If ``print_state`` is ``True``, define how species are to be printed. | Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species, | respectively, or an iterable that contains the desired species names as | strings. Defaults to ``None``. | :param species_units: | Defines the units the species are displayed in as either ``"percent"`` or | ``"ppm"``. Defaults to ``"percent"``. | :return: | ``graphviz.graphs.BaseGraph`` object with surface and connected | reactor. | | .. versionadded:: 3.1 | | install(self, r) | Add this `ReactorSurface` to the specified `Reactor` | | .. deprecated:: 3.2 | Replaced by specifying list of adjacent reactors in the `ReactorSurface` | constructor. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | area | Area on which reactions can occur [m²]. | | coverages | The fraction of sites covered by each surface species. | | kinetics | The `InterfaceKinetics` object used for calculating reaction rates on | this surface. | | .. deprecated:: 3.2 | Replaced by ``phase`` property. | | reactor | Return the `Reactor` object the surface is connected to. | | .. versionadded:: 3.1 | | reactors | A list of of `Reactor` objects containing phases that participate in reactions | on this surface. | | .. versionadded:: 3.2 | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | reactor_type = 'ReactorSurface' | | ---------------------------------------------------------------------- | Methods inherited from ReactorBase: | | __copy__(self) | | __reduce__(self) | | add_sensitivity_reaction(self, m) | Specifies that the sensitivity of the state variables with respect to | reaction ``m`` should be computed. ``m`` is the 0-based reaction index. | The reactor must be part of a network first. Specifying the same | reaction more than one time raises an exception. | | insert(self, solution) | Set ``solution`` to be the object used to compute thermodynamic | properties and kinetic rates for this reactor. | | .. deprecated:: 3.2 | | After Cantera 3.2, a change of reactor contents after instantiation | will be disabled and this method will be removed. | | syncState(self) | Set the state of the Reactor to match that of the associated | `ThermoPhase` object. After calling syncState(), call | ReactorNet.reinitialize() before further integration. | | ---------------------------------------------------------------------- | Data descriptors inherited from ReactorBase: | | T | The temperature [K] of the reactor's contents. | | Y | The mass fractions of the reactor's contents. | | density | The density [kg/m³ or kmol/m³] of the reactor's contents. | | inlets | List of flow devices installed as inlets to this reactor | | mass | The mass of the reactor's contents. | | name | The name of the reactor. | | node_attr | A dictionary containing draw attributes for the representation of the reactor as a | graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable | attributes. | | .. versionadded:: 3.1 | | outlets | List of flow devices installed as outlets to this reactor | | phase | The `Solution` object representing the reactor's contents. | | .. versionchanged:: 3.2 | Renamed from ``thermo``. | | surfaces | List of reacting surfaces installed on this reactor | | thermo | The `ThermoPhase` object representing the reactor's contents. | | .. deprecated:: 3.2 | Renamed to ``phase`` | | type | The type of the reactor. | | volume | The volume [m³] of the reactor. | | walls | List of walls installed on this reactor
cantera.Reservoir
Python Library Documentation: class Reservoir in module cantera.reactor class Reservoir(ReactorBase) | A reservoir is a reactor with a constant state. The temperature, | pressure, and chemical composition in a reservoir never change from | their initial values. | | Method resolution order: | Reservoir | ReactorBase | builtins.object | | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | reactor_type = 'Reservoir' | | ---------------------------------------------------------------------- | Methods inherited from ReactorBase: | | __copy__(self) | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | __reduce__(self) | | add_sensitivity_reaction(self, m) | Specifies that the sensitivity of the state variables with respect to | reaction ``m`` should be computed. ``m`` is the 0-based reaction index. | The reactor must be part of a network first. Specifying the same | reaction more than one time raises an exception. | | draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent') | Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if | provided. Optionally include current reactor state in the node. | | :param graph: | ``graphviz.graphs.BaseGraph`` object to which the reactor is added. | If not provided, a new ``DiGraph`` is created. Defaults to ``None``. | :param graph_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the general appearance of the drawn network. | See https://graphviz.org/docs/graph/ for a list of all usable attributes. | :param node_attr: | Attributes to be passed to the ``node`` method invoked to draw the reactor. | See https://graphviz.org/docs/nodes/ for a list of all usable attributes. | :param print_state: | Whether state information of the reactor is printed into the node. | Defaults to ``False``. | :param species: | If ``print_state`` is ``True``, define how species are to be printed. | Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species, | respectively, or an iterable that contains the desired species names as | strings. Defaults to ``None``. | :param species_units: | Defines the units the species are displayed in as either ``"percent"`` or | ``"ppm"``. Defaults to ``"percent"``. | :return: | ``graphviz.graphs.BaseGraph`` object with reactor | | .. versionadded:: 3.1 | | insert(self, solution) | Set ``solution`` to be the object used to compute thermodynamic | properties and kinetic rates for this reactor. | | .. deprecated:: 3.2 | | After Cantera 3.2, a change of reactor contents after instantiation | will be disabled and this method will be removed. | | syncState(self) | Set the state of the Reactor to match that of the associated | `ThermoPhase` object. After calling syncState(), call | ReactorNet.reinitialize() before further integration. | | ---------------------------------------------------------------------- | Data descriptors inherited from ReactorBase: | | T | The temperature [K] of the reactor's contents. | | Y | The mass fractions of the reactor's contents. | | density | The density [kg/m³ or kmol/m³] of the reactor's contents. | | inlets | List of flow devices installed as inlets to this reactor | | mass | The mass of the reactor's contents. | | name | The name of the reactor. | | node_attr | A dictionary containing draw attributes for the representation of the reactor as a | graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable | attributes. | | .. versionadded:: 3.1 | | outlets | List of flow devices installed as outlets to this reactor | | phase | The `Solution` object representing the reactor's contents. | | .. versionchanged:: 3.2 | Renamed from ``thermo``. | | surfaces | List of reacting surfaces installed on this reactor | | thermo | The `ThermoPhase` object representing the reactor's contents. | | .. deprecated:: 3.2 | Renamed to ``phase`` | | type | The type of the reactor. | | volume | The volume [m³] of the reactor. | | walls | List of walls installed on this reactor
cantera.ShomatePoly2
Python Library Documentation: class ShomatePoly2 in module cantera.speciesthermo class ShomatePoly2(SpeciesThermo) | Thermodynamic properties for a species which is parameterized using the | Shomate equation in two temperature ranges. This is a wrapper for the C++ | class :ct:`ShomatePoly2`. | | :param coeffs: | An array of 15 elements, in the following order: | | - `coeffs[0]`: The mid-point temperature [K] between the two | parameterizations | - `coeffs[1:8]`: The 7 coefficients of the low-temperature | parameterization | - `coeffs[8:15]`: The 7 coefficients of the high-temperature | parameterization | | These coefficients should be provided in their customary units (that is, | such that :math:`c_p^o` is in J/gmol-K and :math:`H^o` is in kJ/gmol, | as in the NIST Chemistry WebBook). | | Method resolution order: | ShomatePoly2 | SpeciesThermo | builtins.object | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | derived_type = 8 | | ---------------------------------------------------------------------- | Methods inherited from SpeciesThermo: | | clear_user_data(self) | Clear all saved input data, so that the data given by `input_data` or | `Solution.write_yaml` will only include values generated by Cantera based on | the current object state. | | cp(self, T) | Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*. | | h(self, T) | Molar enthalpy [J/kmol] at temperature *T* | | s(self, T) | Molar entropy [J/kmol/K] at temperature *T* | | update_user_data(self, data) | Add the contents of the provided `dict` as additional fields when generating | YAML phase definition files with `Solution.write_yaml` or in the data returned | by `input_data`. Existing keys with matching names are overwritten. | | ---------------------------------------------------------------------- | Data descriptors inherited from SpeciesThermo: | | coeffs | Array of coefficients for the parameterization. The length of this | array and the meaning of each element depends on the specific | parameterization. | | input_data | Get input data defining this SpeciesThermo object, along with any user-specified | data provided with its input (YAML) definition. | | max_temp | Maximum temperature [K] at which the parameterization is valid. | | min_temp | Minimum temperature [K] at which the parameterization is valid. | | n_coeffs | Number of parameters for the parameterization. | | reference_pressure | Reference pressure [Pa] for the parameterization.
cantera.Sim1D
Python Library Documentation: class Sim1D in module cantera._onedim
class Sim1D(builtins.object)
| Class Sim1D is a container for one-dimensional domains. It also holds the
| multi-domain solution vector, and controls the process of finding the
| solution.
|
| Domains are ordered left-to-right, with domain number 0 at the left.
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| get_refine_criteria(self, domain)
| Get a dictionary of the criteria used to refine one domain. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~Sim1D.set_refine_criteria`.
|
| :param domain:
| domain object, index, or name
|
| >>> s.set_refine_criteria(d, ratio=5.0, slope=0.2, curve=0.3, prune=0.03)
| >>> s.get_refine_criteria(d)
| {'ratio': 5.0, 'slope': 0.2, 'curve': 0.3, 'prune': 0.03}
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_initial_guess(self, *args, **kwargs)
| Store arguments for initial guess and prepare storage for solution.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_profile(self, domain, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> s.set_profile(d, 'T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_profile`.
|
| set_refine_criteria(self, domain, ratio=10.0, slope=0.8, curve=0.8, prune=0.05)
| Set the criteria used to refine one domain.
|
| :param domain:
| domain object, index, or name
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> s.set_refine_criteria(d, ratio=5.0, slope=0.2, curve=0.3, prune=0.03)
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
cantera.Solution
Python Library Documentation: class Solution in module cantera.composite
class Solution(cantera.transport.Transport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
| A class for chemically-reacting solutions. Instances can be created to
| represent any type of solution -- a mixture of gases, a liquid solution, or
| a solid solution, for example.
|
| Class `Solution` derives from classes `ThermoPhase`, `Kinetics`, and
| `Transport`. It defines no methods of its own, and is provided so that a
| single object can be used to compute thermodynamic, kinetic, and transport
| properties of a solution.
|
| To skip initialization of the Transport object, pass the keyword argument
| ``transport_model=None`` to the `Solution` constructor.
|
| The most common way to instantiate `Solution` objects is by using a phase
| definition, species and reactions defined in an input file::
|
| gas = ct.Solution('gri30.yaml')
|
| If an input file defines multiple phases, the corresponding key in the
| ``phases`` map can be used to specify the desired phase via the ``name`` keyword
| argument of the constructor::
|
| gas = ct.Solution('diamond.yaml', name='gas')
| diamond = ct.Solution('diamond.yaml', name='diamond')
|
| The name of the `Solution` object defaults to the value of the ``name`` field in
| the input file. Upon initialization of a `Solution` object, a custom name can
| assigned via::
|
| gas.name = 'my_custom_name'
|
| `Solution` objects can also be constructed using `Species` and `Reaction`
| objects which can themselves either be imported from input files or defined
| directly in Python::
|
| spec = ct.Species.list_from_file("gri30.yaml")
| spec_gas = ct.Solution(thermo='ideal-gas', species=spec)
| rxns = ct.Reaction.list_from_file("gri30.yaml", spec_gas)
| gas = ct.Solution(thermo='ideal-gas', kinetics='gas',
| species=spec, reactions=rxns, name='my_custom_name')
|
| where the ``thermo`` and ``kinetics`` keyword arguments are strings
| specifying the thermodynamic and kinetics model, respectively, and
| ``species`` and ``reactions`` keyword arguments are lists of `Species` and
| `Reaction` objects, respectively. Note that importing the reactions from a
| YAML input file requires a `Kinetics` object containing the species, as
| shown.
|
| Types of underlying models that form the composite `Solution` object are
| queried using the ``thermo_model``, ``kinetics_model`` and
| ``transport_model`` attributes; further, the ``composite`` attribute is a
| shorthand returning a tuple containing the types of the three constitutive
| models.
|
| For non-trivial uses cases of this functionality, see the examples
| :doc:`extract_submechanism.py </examples/python/kinetics/extract_submechanism>`
| :doc:`mechanism_reduction.py </examples/python/kinetics/mechanism_reduction>`.
|
| In addition, `Solution` objects can be constructed by passing the text of
| the YAML phase definition in directly, using the ``yaml`` keyword
| argument::
|
| yaml_def = '''
| phases:
| - name: gas
| thermo: ideal-gas
| kinetics: gas
| elements: [O, H, Ar]
| species:
| - gri30.yaml/species: all
| reactions:
| - gri30.yaml/reactions: declared-species
| skip-undeclared-elements: true
| skip-undeclared-third-bodies: true
| state: {T: 300, P: 1 atm}
| '''
| gas = ct.Solution(yaml=yaml_def)
|
| Method resolution order:
| Solution
| cantera.transport.Transport
| cantera.kinetics.Kinetics
| cantera.thermo.ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods inherited from cantera.transport.Transport:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.transport.Transport:
|
| __new__(*args, **kwargs) class method of cantera.transport.Transport
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.transport.Transport:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.kinetics.Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.kinetics.Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from cantera.thermo.ThermoPhase:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.SolutionArray
Python Library Documentation: class SolutionArray in module cantera.composite
class SolutionArray(cantera.solutionbase.SolutionArrayBase)
| SolutionArray(phase, shape=(0,), states=None, extra=None, meta=None, init=True)
|
| A class providing a convenient interface for representing many thermodynamic
| states using the same `Solution` object and computing properties for that
| array of states.
|
| `SolutionArray` can represent both 1D and multi-dimensional arrays of states,
| with shapes described in the same way as *NumPy* arrays. All of the states
| can be set in a single call::
|
| >>> gas = ct.Solution('gri30.yaml')
| >>> states = ct.SolutionArray(gas, (6, 10))
| >>> T = np.linspace(300, 1000, 10) # row vector
| >>> P = ct.one_atm * np.linspace(0.1, 5.0, 6)[:,np.newaxis] # column vector
| >>> X = 'CH4:1.0, O2:1.0, N2:3.76'
| >>> states.TPX = T, P, X
|
| Similar to *NumPy* arrays, input with fewer non-singleton dimensions than the
| `SolutionArray` is 'broadcast' to generate input of the appropriate shape. In
| the above example, the single value for the mole fraction input is applied
| to each input, while each row has a constant temperature and each column has
| a constant pressure.
|
| Computed properties are returned as *NumPy* arrays with the same shape as the
| array of states, with additional dimensions appended as necessary for non-
| scalar output (for example, per-species or per-reaction properties)::
|
| >>> h = states.enthalpy_mass
| >>> h[i,j] # -> enthalpy at P[i] and T[j]
| >>> sk = states.partial_molar_entropies
| >>> sk[i,:,k] # -> entropy of species k at P[i] and each temperature
| >>> ropnet = states.net_rates_of_progress
| >>> ropnet[i,j,n] # -> net reaction rate for reaction n at P[i] and T[j]
|
| In the case of 1D arrays, additional states can be appended one at a time::
|
| >>> states = ct.SolutionArray(gas) # creates an empty SolutionArray
| >>> for phi in np.linspace(0.5, 2.0, 20):
| ... states.append(T=300, P=ct.one_atm,
| ... X={'CH4': phi, 'O2': 2, 'N2': 2*3.76})
| >>> # 'states' now contains 20 elements
| >>> states.equilibrate('HP')
| >>> states.T # -> adiabatic flame temperature at various equivalence ratios
|
| `SolutionArray` objects can also be 'sliced' like *NumPy* arrays, which can be
| used both for accessing and setting properties::
|
| >>> states = ct.SolutionArray(gas, (6, 10))
| >>> states[0].TP = 400, None # set the temperature of the first row to 400 K
| >>> cp = states[:,1].cp_mass # heat capacity of the second column
|
| If many slices or elements of a property are going to be accessed (for example,
| within a loop), it is generally more efficient to compute the property array
| once and access this directly, rather than repeatedly slicing the
| `SolutionArray` object, for example::
|
| >>> mu = states.viscosity
| >>> for i,j in np.ndindex(mu.shape):
| ... # do something with mu[i,j]
|
| Information about a subset of species may also be accessed, using
| parentheses to specify the species::
|
| >>> states('CH4').Y # -> mass fraction of CH4 in each state
| >>> states('H2','O2').partial_molar_cp # -> cp for H2 and O2
|
| Properties and functions which are not dependent on the thermodynamic state
| act as pass-throughs to the underlying `Solution` object, and are not
| converted to arrays::
|
| >>> states.element_names
| ['O', 'H', 'C', 'N', 'Ar']
| >>> s.reaction_equation(10)
| 'CH4 + O <=> CH3 + OH'
|
| Data represented by a `SolutionArray` can be extracted to a CSV file using the
| `save` method::
|
| >>> states.save('somefile.csv', basis="mole')
|
| As an alternative to the CSV format, `SolutionArray` objects can also be saved in
| YAML or HDF formats, where the keyword argument ``id`` allows for saving and
| accessing of multiple solutions in a single container file::
|
| >>> states.save('somefile.yaml', id='some_key')
|
| YAML and HDF files can be read back into `SolutionArray` objects using the
| `restore` method::
|
| >>> states = ct.SolutionArray(gas)
| >>> states.restore('somefile.yaml', id='some_key')
|
| As long as stored columns in a CSV file specify a valid thermodynamic state, the
| contents of a `SolutionArray` can be restored using the `read_csv` method, which
| is specific to the Python API::
|
| >>> states = ct.SolutionArray(gas)
| >>> states.read_csv('somefile.csv')
|
| Note that `save` and `restore` for HDF requires Cantera to be compiled with HDF
| support, as it depends on external *HighFive* and *HDF5* libraries.
|
| :param phase: The `Solution` object used to compute the thermodynamic,
| kinetic, and transport properties
| :param shape: A tuple or integer indicating the dimensions of the
| `SolutionArray`. If the shape is 1D, the array may be extended using the
| `append` method. Otherwise, the shape is fixed.
| :param states: The initial array of states. Used internally to provide
| slicing support.
|
| Method resolution order:
| SolutionArray
| cantera.solutionbase.SolutionArrayBase
| builtins.object
|
| Methods defined here:
|
| __call__(self, *species)
| Call self as a function.
|
| __copy__(self)
|
| __getattr__(self, name)
|
| __getitem__(self, index)
|
| __init__(self, phase, shape=(0,), states=None, extra=None, meta=None, init=True)
| Initialize self. See help(type(self)) for accurate signature.
|
| __len__(self) -> 'int'
|
| __reduce__(self)
| Helper for pickle.
|
| __setattr__(self, name, value)
| Implement setattr(self, name, value).
|
| append(self, state=None, normalize=True, **kwargs)
| Append an element to the array with the specified state. Elements can
| only be appended in cases where the array of states is one-dimensional.
|
| The state may be specified in one of three ways:
|
| - as the array of [temperature, density, mass fractions] which is
| returned by `Solution.state`::
|
| mystates.append(gas.state)
|
| - as a tuple of three elements that corresponds to any of the full-state
| setters of `Solution`, such as `TPY` or `HPX`::
|
| mystates.append(TPX=(300, 101325, 'O2:1.0, N2:3.76'))
|
| - as separate keywords for each of the elements corresponding to one of
| the full-state setters::
|
| mystates.append(T=300, P=101325, X={'O2':1.0, 'N2':3.76})
|
| By default, the mass or mole fractions will be normalized i.e negative values
| are truncated and the mass or mole fractions sum up to 1.0. If this
| is not desired, the ``normalize`` argument can be set to ``False``.
|
| atomic_weight = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Atomic weight [kg/kmol] of element ``m``
|
| collect_data(self, cols=None, tabular=False, threshold=0, species=None)
| Returns the data specified by ``cols`` in a dictionary, where keys correspond
| to `SolutionArray` attributes to be exported.
|
| :param cols: A list of any properties of the solution that are scalars
| or which have a value for each species or reaction. If species names
| are specified, then either the mass or mole fraction of that species
| will be taken, depending on the value of ``species``. ``cols`` may also
| include any arrays which were specified as ``extra`` variables when
| defining the `SolutionArray` object. The special value 'extra' can
| be used to include all 'extra' variables.
| :param tabular: Split 2D data into separate 1D columns for each
| species / reaction
| :param threshold: Relative tolerance for including a particular column
| if tabular output is enabled. The tolerance is applied by comparing
| the maximum absolute value for a particular column to the maximum
| absolute value in all columns for the same variable (for example, mass
| fraction).
| :param species: Specifies whether to use mass ('Y') or mole ('X')
| fractions for individual species specified in 'cols'
|
| element_index = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Name of the element with index ``m``.
|
| elemental_mass_fraction = wrapper(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.caller.<locals>
|
| elemental_mole_fraction = wrapper(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.caller.<locals>
|
| equilibrate(self, *args, **kwargs)
| See `ThermoPhase.equilibrate`
|
| from_pandas(self, df, normalize=True)
| Restores `SolutionArray` data from a `pandas.DataFrame` ``df``.
|
| This method is intended for loading of data that were previously
| exported by `to_pandas`. The method requires a working *pandas*
| installation. The package ``pandas`` can be installed using pip or conda.
|
| The ``normalize`` argument is passed on to `restore_data` to normalize
| mole or mass fractions. By default, ``normalize`` is ``True``.
|
| kinetics_species_index = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| modify_reaction = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| n_atoms = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| product_stoich_coeff = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| read_csv(self, filename, normalize=True)
| Read a CSV file named ``filename`` and restore data to the `SolutionArray`
| using `restore_data`. This method allows for recreation of data
| previously exported by `write_csv`.
|
| The ``normalize`` argument is passed on to `restore_data` to normalize
| mole or mass fractions. By default, ``normalize`` is ``True``.
|
| restore(self, fname, name=None, sub=None)
| Restore `SolutionArray` data and header information from a container file.
|
| This method retrieves data from a YAML or HDF files that were previously saved
| using the `save` method.
|
| :param fname:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and a subgroup holding actual `SolutionArray` data
| :param sub:
| Name identifier for the subgroup holding the `SolutionArray` data and
| metadata objects. If `None`, the subgroup name defaults to ``data``
| :return:
| Dictionary holding `SolutionArray` meta data.
|
| .. versionadded:: 3.0
|
| restore_data(self, data, normalize=True)
| Restores a `SolutionArray` based on ``data`` specified in an ordered
| dictionary. Thus, this method allows to restore data exported by
| `collect_data`.
|
| :param data: Dictionary holding data to be restored, where keys
| refer to thermodynamic states (for example, ``T``, ``density``) or extra
| entries, and values contain corresponding data.
| :param normalize: If True, mole or mass fractions are normalized
| so that they sum up to 1.0. If False, mole or mass fractions
| are not normalized.
|
| The receiving `SolutionArray` either has to be empty or should have
| matching dimensions. Essential state properties and extra entries
| are detected automatically whereas stored information of calculated
| properties is omitted. If the receiving `SolutionArray` has extra
| entries already specified, only those will be imported; if *labels*
| does not contain those entries, an error is raised.
|
| save(self, fname, name=None, sub=None, description=None, *, overwrite=False, compression=0, basis=None)
| Save current `SolutionArray` contents to a data file.
|
| Data can be saved either in CSV format (extension ``*.csv``), YAML container
| format (extension ``*.yaml``/``*.yml``) or HDF container format (extension
| ``*.h5``/``*.hdf5``/``*.hdf``). The output format is automatically inferred from
| the file extension.
|
| CSV files preserve state data and auxiliary data for a single `SolutionArray` in
| a comma-separated text format, container files may hold multiple `SolutionArray`
| entries in an internal hierarchical structure. While YAML is a human-readable
| text format, HDF is a binary format that supports compression and is recommended
| for large datasets.
|
| For container files (YAML and HDF), header information contains automatically
| generated time stamps, version information and an optional description.
| Container files also preserve `SolutionArray` metadata (example:
| `SolutionArray` objects generated by `Sim1D` store simulation settings).
|
| :param fname:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and a subgroup holding actual `SolutionArray`
| data (YAML/HDF only).
| :param sub:
| Name identifier for the subgroup holding the `SolutionArray` data and
| metadata objects. If `None`, the subgroup name defaults to ``data``
| (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file/name exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| .. versionadded:: 3.0
|
| set_equivalence_ratio(self, phi, *args, **kwargs)
| See `ThermoPhase.set_equivalence_ratio`
|
| Note that ``phi`` either needs to be a scalar value or dimensions have
| to be matched to the `SolutionArray`.
|
| set_mixture_fraction(self, mixture_fraction, *args, **kwargs)
| See `ThermoPhase.set_mixture_fraction`
|
| Note that ``mixture_fraction`` either needs to be a scalar value or
| dimensions have to be matched to the `SolutionArray`.
|
| set_multiplier = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| sort(self, col, reverse=False)
| Sort SolutionArray by column ``col``.
|
| :param col: Column that is used to sort the SolutionArray.
| :param reverse: If True, the sorted list is reversed (descending order).
|
| species = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name = f(self, *args, **kwargs) from cantera.composite._make_functions.<locals>.passthrough_method.<locals>
| Name of the species with index ``k``.
|
| to_pandas(self, cols=None, *args, **kwargs)
| Returns the data specified by ``cols`` in a single `pandas.DataFrame`.
|
| Additional arguments are passed on to `collect_data`. This method works
| only with 1D `SolutionArray` objects and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this method.
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Q
| Get/Set vapor fraction (quality). Can be set only when in the two-phase
| region.
|
| T
| Temperature [K].
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| coverages
| Get/Set the fraction of sites covered by each species.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| ndim
| The number of dimensions in the SolutionArray.
|
| .. versionadded:: 3.0
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| viscosity
| Viscosity [Pa-s].
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPQ
| Get the density [kg/m³], pressure [Pa], and vapor fraction.
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPQ
| Get the enthalpy [J/kg or J/kmol], pressure [Pa] and vapor fraction.
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| PQ
| Get/Set the pressure [Pa] and vapor fraction of a two-phase state.
|
| PV
| Get/Set the pressure [Pa] and specific volume [m³/kg] of a PureFluid.
|
| SH
| Get/Set the specific entropy [J/kg/K] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPQ
| Get the entropy [J/kg/K or J/kmol/K], pressure [Pa], and vapor fraction.
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| ST
| Get/Set the entropy [J/kg/K] and temperature [K] of a PureFluid.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVQ
| Get the entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or
| m³/kmol], and vapor fraction.
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDQ
| Get the temperature [K], density [kg/m³ or kmol/m³], and vapor fraction.
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TH
| Get/Set the temperature [K] and the specific enthalpy [J/kg]
| of a PureFluid.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPQ
| Get/Set the temperature [K], pressure [Pa], and vapor fraction of a
| PureFluid.
|
| An Exception is raised if the thermodynamic state is not consistent.
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| TQ
| Get/Set the temperature [K] and vapor fraction of a two-phase state.
|
| TV
| Get/Set the temperature [K] and specific volume [m³/kg] of a PureFluid.
|
| UP
| Get/Set the specific internal energy [J/kg] and the
| pressure [Pa] of a PureFluid.
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVQ
| Get the internal energy [J/kg or J/kmol], specific volume
| [m³/kg or m³/kmol], and vapor fraction.
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| VH
| Get/Set the specific volume [m³/kg] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| __dict__
| dictionary for instance variables
|
| __weakref__
| list of weak references to the object
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| charges
| Array of species charges [elem. charge].
|
| element_names
| A list of all the element names.
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_elements
| Number of elements.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_species
| Number of species.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reference_pressure
| Reference state pressure [Pa].
|
| shape
| The shape of the SolutionArray.
|
| .. versionadded:: 3.0
|
| :return: A tuple of integers with the number of elements in each dimension.
|
| site_density
| Get/Set the site density. [kmol/m²] for surface phases; [kmol/m] for
| edge phases.
|
| source
| The source of this object (such as a file name).
|
| species_names
| A list of all the species names.
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase.SolutionArrayBase:
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| get_auxiliary(self, loc)
| Retrieve auxiliary data for a `SolutionArrayBase` location
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `SolutionArray`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionchanged:: 3.2
|
| Added ``display`` parameter.
|
| resize(self, size)
| Resize `SolutionArrayBase` to given size
|
| set_auxiliary(self, loc, data)
| Set auxiliary data for a `SolutionArrayBase` location
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.solutionbase.SolutionArrayBase:
|
| __new__(*args, **kwargs) class method of cantera.solutionbase.SolutionArrayBase
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase.SolutionArrayBase:
|
| component_names
| Retrieve ordered list of all `SolutionArrayBase` components (defining
| thermodynamic state or auxiliary `extra` information)
|
| extra
| Retrieve ordered list of auxiliary `SolutionArrayBase` components
|
| meta
| Dictionary holding information describing the `SolutionArrayBase`.
|
| size
| The number of elements in the `SolutionArrayBase`.
cantera.SolutionArrayBase
Python Library Documentation: class SolutionArrayBase in module cantera.solutionbase class SolutionArrayBase(builtins.object) | Class `SolutionArrayBase` serves as an interface between the C++ SolutionArray core | class and the Python API implementation. While `SolutionArrayBase` holds shape | information used by the derived user-facing `SolutionArray` API, it uses a flattened | one-dimensional data structure internally. | | .. warning:: | | This class is an experimental part of the Cantera API and | may be changed or removed without notice. | | .. versionadded:: 3.0 | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __repr__(self, /) | Return repr(self). | | __setstate__ = __setstate_cython__(...) | | get_auxiliary(self, loc) | Retrieve auxiliary data for a `SolutionArrayBase` location | | info(self, keys=None, rows=10, width=None, display=True) | Display or return a concise summary of a `SolutionArray`. | | :param keys: List of components to be displayed; if `None`, all components are | considered. | :param rows: Maximum number of rendered rows. | :param width: Maximum width of rendered output. | :param display: If `True`, display result (default), otherwise, return a string. | | .. versionchanged:: 3.2 | | Added ``display`` parameter. | | resize(self, size) | Resize `SolutionArrayBase` to given size | | set_auxiliary(self, loc, data) | Set auxiliary data for a `SolutionArrayBase` location | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | component_names | Retrieve ordered list of all `SolutionArrayBase` components (defining | thermodynamic state or auxiliary `extra` information) | | extra | Retrieve ordered list of auxiliary `SolutionArrayBase` components | | meta | Dictionary holding information describing the `SolutionArrayBase`. | | size | The number of elements in the `SolutionArrayBase`.
cantera.Species
Python Library Documentation: class Species in module cantera.thermo
class Species(builtins.object)
| A class which stores data about a single chemical species that may be
| needed to add it to a `Solution` or `Interface` object (and to the
| underlying `ThermoPhase` and `Transport` objects).
|
| :param name:
| A string giving the name of the species, such as ``'CH4'``
| :param composition:
| The elemental composition of the species, given either as a dict or a
| composition string, such as ``{'C':1, 'H':4}`` or ``'C:1, H:4'``.
| :param charge:
| The electrical charge, in units of the elementary charge. Default 0.0.
| :param size:
| The effective size [m] of the species. Default 1.0.
| :param init:
| Used internally when wrapping :ct:`Species` objects returned from C++
|
| Example: creating an ideal gas phase with a single species::
|
| ch4 = ct.Species('CH4', 'C:1, H:4')
| ch4.thermo = ct.ConstantCp(300, 1000, 101325,
| (300, -7.453347e7, 1.865912e5, 3.576053e4))
| tran = ct.GasTransportData()
| tran.set_customary_units('nonlinear', 3.75, 141.40, 0.0, 2.60, 13.00)
| ch4.transport = tran
| gas = ct.Solution(thermo='ideal-gas', species=[ch4])
|
| The static methods `list_from_file` and `list_from_yaml` can be used to create
| `Species` objects from existing definitions in the YAML format. Either of the
| following will produce a list of 53 `Species` objects containing the species defined
| in the GRI 3.0 mechanism::
|
| S = ct.Species.list_from_file("gri30.yaml")
|
| import pathlib
| S = ct.Species.list_from_yaml(
| pathlib.Path('path/to/gri30.yaml').read_text(),
| section='species')
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| from_dict(data)
| Create a `Species` object from a dictionary corresponding to its YAML
| representation.
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `Species` object from its YAML string representation.
|
| list_from_file(filename, section='species')
| Create a list of Species objects from all of the species defined in the section
| ``section`` of a YAML file. Directories on Cantera's input file path will be
| searched for the specified file.
|
| list_from_yaml(text, section=None)
| Create a list of Species objects from all the species defined in a YAML
| string. If ``text`` is a YAML mapping, the ``section`` name of the list
| to be read must be specified. If ``text`` is a YAML list, no ``section``
| name should be supplied.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| charge
| The electrical charge on the species, in units of the elementary charge.
|
| composition
| A dict containing the elemental composition of the species. Keys are
| element names; values are the corresponding atomicities.
|
| input_data
| Get input data defining this Species, along with any user-specified data
| provided with its input (YAML) definition.
|
| molecular_weight
| The molecular weight [amu] of the species.
|
| .. versionadded:: 3.0
|
| name
| The name of the species.
|
| size
| The effective size [m] of the species.
|
| thermo
| Get/Set the species reference-state thermodynamic data, as an instance
| of class `SpeciesThermo`.
|
| transport
| Get/Set the species transport parameters, as an instance of class
| `GasTransportData`.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
cantera.SpeciesThermo
Python Library Documentation: class SpeciesThermo in module cantera.speciesthermo class SpeciesThermo(builtins.object) | Base class for representing the reference-state thermodynamic properties of | a pure species. These properties are a function of temperature. Derived | classes implement a parameterization of this temperature dependence. This is | a wrapper for the C++ class :ct:`SpeciesThermoInterpType`. | | :param T_low: | The minimum temperature [K] at which the parameterization is valid | :param T_high: | The maximum temperature [K] at which the parameterization is valid | :param P_ref: | The reference pressure [Pa] for the parameterization | :param coeffs: | An array of coefficients for the parameterization. The length of this | array and the meaning of each element depends on the specific | parameterization. | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | clear_user_data(self) | Clear all saved input data, so that the data given by `input_data` or | `Solution.write_yaml` will only include values generated by Cantera based on | the current object state. | | cp(self, T) | Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*. | | h(self, T) | Molar enthalpy [J/kmol] at temperature *T* | | s(self, T) | Molar entropy [J/kmol/K] at temperature *T* | | update_user_data(self, data) | Add the contents of the provided `dict` as additional fields when generating | YAML phase definition files with `Solution.write_yaml` or in the data returned | by `input_data`. Existing keys with matching names are overwritten. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | coeffs | Array of coefficients for the parameterization. The length of this | array and the meaning of each element depends on the specific | parameterization. | | input_data | Get input data defining this SpeciesThermo object, along with any user-specified | data provided with its input (YAML) definition. | | max_temp | Maximum temperature [K] at which the parameterization is valid. | | min_temp | Minimum temperature [K] at which the parameterization is valid. | | n_coeffs | Number of parameters for the parameterization. | | reference_pressure | Reference pressure [Pa] for the parameterization. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL>
cantera.SriRate
Python Library Documentation: class SriRate in module cantera.reaction
class SriRate(FalloffRate)
| The 3- or 5-parameter SRI falloff function.
|
| :param falloff_coeffs:
| An array of 3 or 5 parameters: :math:`[a, b, c, d, e]` where the last
| two parameters are optional (with default values of 1 and 0, respectively).
|
| Method resolution order:
| SriRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.StickRateBase
Python Library Documentation: class StickRateBase in module cantera.reaction
class StickRateBase(InterfaceRateBase)
| Base class collecting commonly used features of Arrhenius-type sticking rate
| objects that include coverage dependencies.
|
| Method resolution order:
| StickRateBase
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| motz_wise_correction
| Get/Set a boolean indicating whether to use the correction factor developed by
| Motz & Wise for reactions with high (near-unity) sticking coefficients when
| converting the sticking coefficient to a rate coefficient.
|
| sticking_order
| The exponent applied to site density (sticking order).
|
| The sticking order is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| sticking_species
| The name of the sticking species. Needed only for reactions with
| multiple non-surface reactant species, where the sticking species is
| ambiguous.
|
| sticking_weight
| The molecular weight of the sticking species.
|
| The sticking weight is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.StickingArrheniusRate
Python Library Documentation: class StickingArrheniusRate in module cantera.reaction
class StickingArrheniusRate(StickRateBase)
| A surface sticking rate expression based on the Arrhenius parameterization
|
| Method resolution order:
| StickingArrheniusRate
| StickRateBase
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from StickRateBase:
|
| motz_wise_correction
| Get/Set a boolean indicating whether to use the correction factor developed by
| Motz & Wise for reactions with high (near-unity) sticking coefficients when
| converting the sticking coefficient to a rate coefficient.
|
| sticking_order
| The exponent applied to site density (sticking order).
|
| The sticking order is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| sticking_species
| The name of the sticking species. Needed only for reactions with
| multiple non-surface reactant species, where the sticking species is
| ambiguous.
|
| sticking_weight
| The molecular weight of the sticking species.
|
| The sticking weight is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.StickingBlowersMaselRate
Python Library Documentation: class StickingBlowersMaselRate in module cantera.reaction
class StickingBlowersMaselRate(StickRateBase)
| A surface sticking rate expression based on the Blowers-Masel parameterization
|
| Method resolution order:
| StickingBlowersMaselRate
| StickRateBase
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| bond_energy
| Average bond dissociation energy of the bond being formed and broken
| in the reaction ``E`` [J/kmol].
|
| delta_enthalpy
| Enthalpy change of reaction ``deltaH`` [J/kmol]
|
| The enthalpy change of reaction is a function of temperature and thus not
| an independent property. Accordingly, the setter should be only used for
| testing purposes, as any value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from StickRateBase:
|
| motz_wise_correction
| Get/Set a boolean indicating whether to use the correction factor developed by
| Motz & Wise for reactions with high (near-unity) sticking coefficients when
| converting the sticking coefficient to a rate coefficient.
|
| sticking_order
| The exponent applied to site density (sticking order).
|
| The sticking order is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| sticking_species
| The name of the sticking species. Needed only for reactions with
| multiple non-surface reactant species, where the sticking species is
| ambiguous.
|
| sticking_weight
| The molecular weight of the sticking species.
|
| The sticking weight is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.Surface1D
Python Library Documentation: class Surface1D in module cantera._onedim
class Surface1D(Boundary1D)
| A solid surface.
|
| Method resolution order:
| Surface1D
| Boundary1D
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from Boundary1D:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Boundary1D:
|
| T
| The temperature [K] at this boundary.
|
| X
| Species mole fractions at this boundary. May be set as either a string
| or as an array.
|
| Y
| Species mass fractions at this boundary. May be set as either a string
| or as an array.
|
| mdot
| The mass flow rate per unit area [kg/s/m²]
|
| spread_rate
| Get/set the tangential velocity gradient [1/s] at this boundary.
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.SymmetryPlane1D
Python Library Documentation: class SymmetryPlane1D in module cantera._onedim
class SymmetryPlane1D(Boundary1D)
| A symmetry plane.
|
| Method resolution order:
| SymmetryPlane1D
| Boundary1D
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from Boundary1D:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Boundary1D:
|
| T
| The temperature [K] at this boundary.
|
| X
| Species mole fractions at this boundary. May be set as either a string
| or as an array.
|
| Y
| Species mass fractions at this boundary. May be set as either a string
| or as an array.
|
| mdot
| The mass flow rate per unit area [kg/s/m²]
|
| spread_rate
| Get/set the tangential velocity gradient [1/s] at this boundary.
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.SystemJacobian
Python Library Documentation: class SystemJacobian in module cantera.jacobians class SystemJacobian(builtins.object) | Common base class for Jacobian matrices used in the solution of nonlinear systems. | Wraps C++ class :ct:`SystemJacobian`. | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | side | Get/Set the side of the system matrix where the preconditioner is applied. | Options are "none", "left", "right", or "both". Not all options are supported | by all solver types. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | linear_solver_type = 'GMRES'
cantera.Tabulated1
Python Library Documentation: class Tabulated1 in module cantera.func1 class Tabulated1(Func1) | A `Tabulated1` object representing a tabulated function is defined by | sample points and corresponding function values. Inputs are specified by | two iterable objects containing sample point location and function values. | Between sample points, values are evaluated based on the optional argument | ``method``; options are ``'linear'`` (linear interpolation, default) or | ``'previous'`` (nearest previous value). Outside the sample interval, the | value at the closest end point is returned. | | Examples for `Tabulated1` objects are:: | | >>> t1 = Tabulated1([0, 1, 2], [2, 1, 0]) | >>> [t1(v) for v in [-0.5, 0, 0.5, 1.5, 2, 2.5]] | [2.0, 2.0, 1.5, 0.5, 0.0, 0.0] | | >>> t2 = Tabulated1(np.array([0, 1, 2]), np.array([2, 1, 0])) | >>> [t2(v) for v in [-0.5, 0, 0.5, 1.5, 2, 2.5]] | [2.0, 2.0, 1.5, 0.5, 0.0, 0.0] | | The optional ``method`` keyword argument changes the type of interpolation | from the ``'linear'`` default to ``'previous'``:: | | >>> t3 = Tabulated1([0, 1, 2], [2, 1, 0], method='previous') | >>> [t3(v) for v in [-0.5, 0, 0.5, 1.5, 2, 2.5]] | [2.0, 2.0, 2.0, 1.0, 0.0, 0.0] | | .. versionadded:: 3.0 | | Method resolution order: | Tabulated1 | Func1 | builtins.object | | Methods defined here: | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL> | | ---------------------------------------------------------------------- | Methods inherited from Func1: | | __add__(...) | | __call__(self, /, *args, **kwargs) | Call self as a function. | | __copy__(self) | | __mul__(...) | | __radd__(...) | | __reduce__(self) | | __rmul__(...) | | __rsub__(...) | | __rtruediv__(...) | | __sub__(...) | | __truediv__(...) | | write(self, name='x') | Write a :math:`LaTeX` expression representing a functor. | | :param name: | Name of the variable to be used. | | .. versionadded:: 3.0 | | ---------------------------------------------------------------------- | Data descriptors inherited from Func1: | | cxx_type | Return the type of the underlying C++ functor object. | | .. versionadded:: 3.1 | | type | Return the type of the underlying C++ functor object. | | .. versionadded:: 3.0
cantera.ThermoModelMethodError
Python Library Documentation: class ThermoModelMethodError in module cantera.thermo class ThermoModelMethodError(builtins.Exception) | ThermoModelMethodError(thermo_model) | | Exception raised for an invalid method used by a thermo model | | :param thermo_model: | The thermo model used by class `ThermoPhase` | | Method resolution order: | ThermoModelMethodError | builtins.Exception | builtins.BaseException | builtins.object | | Methods defined here: | | __init__(self, thermo_model) | | ---------------------------------------------------------------------- | Data descriptors defined here: | | __weakref__ | list of weak references to the object | | ---------------------------------------------------------------------- | Static methods inherited from builtins.Exception: | | __new__(*args, **kwargs) class method of builtins.Exception | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Methods inherited from builtins.BaseException: | | __getattribute__(self, name, /) | Return getattr(self, name). | | __reduce__(...) | Helper for pickle. | | __repr__(self, /) | Return repr(self). | | __setstate__(...) | | __str__(self, /) | Return str(self). | | add_note(...) | Exception.add_note(note) -- | add a note to the exception | | with_traceback(...) | Exception.with_traceback(tb) -- | set self.__traceback__ to tb and return self. | | ---------------------------------------------------------------------- | Data descriptors inherited from builtins.BaseException: | | __cause__ | exception cause | | __context__ | exception context | | __dict__ | | __suppress_context__ | | __traceback__ | | args
cantera.ThermoPhase
Python Library Documentation: class ThermoPhase in module cantera.thermo
class ThermoPhase(cantera.solutionbase._SolutionBase)
| A phase with an equation of state.
|
| Class `ThermoPhase` may be used to represent the intensive thermodynamic
| state of a phase of matter, which might be a gas, liquid, or solid.
|
| Class `ThermoPhase` is not usually instantiated directly. It is used
| as a base class for classes `Solution` and `Interface`.
|
| Method resolution order:
| ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.ThirdBody
Python Library Documentation: class ThirdBody in module cantera.reaction class ThirdBody(builtins.object) | Class representing third-body collision partners in three-body or falloff reactions. | | :param collider: | Name of the third-body collider. If ``M`` (default), the `default_efficiency` | is set to 1 and the collider is assumed to participate in a three-body reaction. | If the collider includes parentheses, - for example ``(+M)``, - a falloff form | is assumed, where the collider is not considered for the law of mass action. | For species other than ``M``, the third-body collider represents a named species | with collision efficiency 1, and the `default_efficiency` is set to zero. | :param efficiencies: | Non-default third-body efficiencies | :param default_efficiency: | Default third-body efficiency | | .. versionadded:: 3.0 | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | efficiency(self, species) | Get the efficiency of the third body named ``species`` considering both | the default efficiency and species-specific efficiencies. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | default_efficiency | Get/Set the default third-body efficiency for this reaction, used for species | not in `efficiencies`. | | efficiencies | Get/Set a `dict` defining non-default third-body efficiencies for this reaction, | where the keys are the species names and the values are the efficiencies. | | mass_action | Retrieve flag indicating whether third-body collider participates | in the law of mass action. | | name | Get the name of the third-body collider used in the reaction equation. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL>
cantera.Transport
Python Library Documentation: class Transport in module cantera.transport
class Transport(cantera.solutionbase._SolutionBase)
| This class is used to compute transport properties for a phase of matter.
|
| Not all transport properties are implemented in all transport models.
|
| Method resolution order:
| Transport
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
cantera.TroeRate
Python Library Documentation: class TroeRate in module cantera.reaction
class TroeRate(FalloffRate)
| The 3- or 4-parameter Troe falloff function.
|
| :param falloff_coeffs:
| An array of 3 or 4 parameters: :math:`[a, T^{***}, T^*, T^{**}]` where
| the final parameter is optional (with a default value of 0).
|
| Method resolution order:
| TroeRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.TsangRate
Python Library Documentation: class TsangRate in module cantera.reaction
class TsangRate(FalloffRate)
| The Tsang falloff parameterization.
|
| Method resolution order:
| TsangRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.TwoTempPlasmaRate
Python Library Documentation: class TwoTempPlasmaRate in module cantera.reaction
class TwoTempPlasmaRate(ArrheniusRateBase)
| A reaction rate coefficient which depends on both gas and electron temperature
| with the form similar to the modified Arrhenius form. Specifically, the temperature
| exponent (b) is applied to the electron temperature instead. In addition, the
| exponential term with activation energy for electron is included.
|
| .. math::
|
| k_f = A T_e^b \exp(-\tfrac{E_{a,g}}{RT}) \exp(\tfrac{E_{a,e}(T_e - T)}{R T T_e})
|
| where :math:`A` is the
| `pre_exponential_factor <ArrheniusRateBase.pre_exponential_factor>`,
| :math:`b` is the `temperature_exponent <ArrheniusRateBase.temperature_exponent>`,
| :math:`E_{a,g}` (``Ea_gas``) is the
| `activation_energy <ArrheniusRateBase.activation_energy>`, and
| :math:`E_{a,e}` (``Ea_electron``) is the `activation_electron_energy`.
|
| Method resolution order:
| TwoTempPlasmaRate
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and enthalpy change of reaction.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| activation_electron_energy
| The activation electron energy :math:`E_{a,e}` [J/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
cantera.UnitStack
Python Library Documentation: class UnitStack in module cantera.units class UnitStack(builtins.object) | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __setstate__ = __setstate_cython__(...) | | join(self, exponent) | | product(self) | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL>
cantera.UnitSystem
Python Library Documentation: class UnitSystem in module cantera.units
class UnitSystem(builtins.object)
| Unit system used for YAML input and output.
|
| The `UnitSystem` class is used to specify dimensional values for a given unit
| system. The main use is for converting values specified in input files to Cantera's
| native unit system, which is SI units except for the use of kmol as the base
| unit of quantity, that is, kilogram, meter, second, kelvin, ampere, and kmol.
|
| Generally, this class is used indirectly, through methods interacting with `AnyMap`
| objects such as `ExtensibleRate.set_parameters` and `ExtensibleRate.get_parameters`.
|
| The default unit system used by Cantera is SI+kmol::
|
| ct.UnitSystem({
| "length": "m", "mass": "kg", "time": "s",
| "quantity": "kmol", "pressure": "Pa", "energy": "J",
| "temperature": "K", "current": "A", "activation-energy": "J / kmol"})
|
| A CGS+mol unit system with activation energy units of cal/mol is created as::
|
| ct.UnitSystem({
| "length": "cm", "mass": "g", "time": "s",
| "quantity": "mol", "pressure": "dyn / cm^2", "energy": "erg",
| "temperature": "K", "current": "A", "activation-energy": "cal / mol"})
|
| Defaults for dimensions not specified will be left unchanged. Accordingly,
| the default unit system is retrieved as::
|
| ct.UnitSystem()
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| convert_activation_energy_to(self, quantity, dest)
| Convert *quantity* to the activation energy units defined by *dest*, using this
| `UnitSystem` to define the default units of *quantity*. *quantity* can be one of
| the following:
|
| - A number, for example ``3.14``
| - A "quantity string" containing a number and a dimension string, separated by
| a space. For example, ``"3.14 J/kmol"``
| - A NumPy array of either numeric values or quantity strings as described above
| - A list, tuple, or other sequence of any shape containing numeric values or
| quantity strings, For example ``("30 kcal/mol", 3.14, "12000 K")``
|
| *dest* can be a string or `Units` object specifying the destination units, which
| must be interpretable as unit of energy per unit quantity (for example, J/kmol),
| energy (for example, eV) or temperature (K).
|
| convert_rate_coeff_to(self, quantity, dest)
| Convert a *quantity* representing a rate coefficient to the units defined by
| *dest*, using this `UnitSystem` to define the default units of *quantity*.
| Behaves similar to`convert_to` but with special handling for the case of
| standalone rate constants, where the destination units are not actually known,
| and where the units may be specified using `Units` or `UnitStack` objects.
|
| convert_to(self, quantity, dest)
| Convert *quantity* to the units defined by *dest*, using this `UnitSystem` to
| define the default units of *quantity*. *quantity* can be one of the following:
|
| - A number, for example ``3.14``
| - A "quantity string" containing a number and a dimension string, separated by
| a space. For example, ``"3.14 kmol/m^3"``
| - A NumPy array of either numeric values or quantity strings as described above
| - A list, tuple, or other sequence of any shape containing numeric values or
| quantity strings, For example ``("3000 mm", 3.14, "12 cm")``
|
| *dest* can be a string or `Units` object specifying the destination units.
|
| defaults(self)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| units
| Units used by the unit system
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
cantera.Units
Python Library Documentation: class Units in module cantera.units class Units(builtins.object) | A representation of the units associated with a dimensional quantity. | | This class is a light-weight interface to internal Cantera capabilities that are | used for converting quantities between unit systems and checking for dimensional | consistency. Internally, `Units` objects are mainly used within the `UnitSystem` | class to convert values from a user-specified Unit system to Cantera's base units | (SI + kmol). | | The Python API handles display of `Units` that do not require a conversion factor, | with other functions not enabled. | | Methods defined here: | | __reduce__ = __reduce_cython__(...) | | __repr__(self, /) | Return repr(self). | | __setstate__ = __setstate_cython__(...) | | __str__(self, /) | Return str(self). | | dimension(self, primary: 'str') -> 'float' | The dimension of the given unit component. | | .. versionadded:: 3.0 | | :param primary: | A string with the desired unit component. One of ``"mass"``, | ``"length"``, ``"time"``, ``"temperature"``, ``"current"``, or | ``"quantity"``. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | dimensions | A dictionary of the primary unit components to their dimensions. | | .. versionadded:: 3.0 | | factor | The factor required to convert from this unit to Cantera's base units. | | .. versionadded:: 3.0 | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL>
cantera.UnstrainedFlow
Python Library Documentation: class UnstrainedFlow in module cantera._onedim
class UnstrainedFlow(FlowBase)
| An unstrained flow domain. The equations solved are standard equations for
| adiabatic one-dimensional flow. The solution variables are:
|
| *velocity*
| axial velocity
| *T*
| temperature
| *Y_k*
| species mass fractions
|
| Method resolution order:
| UnstrainedFlow
| FlowBase
| Domain1D
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from FlowBase:
|
| __getattr__(...)
|
| __getattribute__(self, name, /)
| Return getattr(self, name).
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| get_settings3(self)
| Temporary method returning new behavior of settings getter.
|
| .. versionadded:: 3.0
|
| set_axisymmetric_flow(self)
| Set flow configuration for axisymmetric counterflow or burner-stabilized
| flames, using specified inlet mass fluxes.
|
| set_default_tolerances(self)
| Set all tolerances to their default values
|
| set_fixed_temp_profile(self, pos, T)
| Set the fixed temperature profile. This profile is used
| whenever the energy equation is disabled.
|
| :param pos:
| array of relative positions from 0 to 1
| :param temp:
| array of temperature values
|
| >>> d.set_fixed_temp_profile(array([0.0, 0.5, 1.0]),
| ... array([500.0, 1500.0, 2000.0])
|
| set_free_flow(self)
| Set flow configuration for freely-propagating flames, using an internal
| point with a fixed temperature as the condition to determine the inlet
| mass flux.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlowBase:
|
| P
| Pressure [Pa]
|
| T
| Array containing the temperature [K] at each grid point.
|
| .. versionadded:: 3.2
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| .. versionadded:: 3.2
|
| electric_field_enabled
| Determines whether or not to solve the electric field equation (only relevant
| if transport model is ``ionized-gas``).
|
| energy_enabled
| Determines whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| oxidizer_velocity
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| .. versionchanged:: 3.2
|
| radial_pressure_gradient
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code and is only
| defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| radiation_enabled
| Determines whether or not to include radiative heat transfer
|
| radiative_heat_loss
| Return radiative heat loss (only non-zero if radiation is enabled).
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| solving_stage
| Solving stage mode for handling ionized species (only relevant if transport
| model is ``ionized-gas``):
|
| - ``stage == 1``: the fluxes of charged species are set to zero
| - ``stage == 2``: the electric field equation is solved, and the drift flux for
| ionized species is evaluated
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Use the `electric_field_enabled` property
| instead.
|
| soret_enabled
| Determines whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option only works for multicomponent and
| mixture-averaged diffusion models.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point. Note: This value is named
| ``spreadRate`` in the C++ code and is only defined for axisymmetric flows.
|
| .. versionadded:: 3.2
|
| transport_model
| Get/set the transport model used for calculating transport properties.
|
| .. versionadded:: 3.0
|
| two_point_control_enabled
| Get/Set the state of the two-point flame control
|
| type
| Return the type of flow domain being represented.
|
| Examples:
| - ``free-flow``/``free-ion-flow``,
| - ``axisymmetric-flow``/``axisymmetric-ion-flow``,
| - ``unstrained-flow``/``unstrained-ion-flow``
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Methods inherited from Domain1D:
|
| __copy__(self)
|
| __reduce__(self)
|
| bounds(self, component)
| Return the (lower, upper) bounds for a solution component.
|
| >>> d.bounds('T')
| (200.0, 5000.0)
|
| component_index(self, name)
| Index of the component with name 'name'
|
| component_name(self, n)
| Name of the nth component.
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `Domain1D`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionadded:: 3.2
|
| .. todo::
|
| Consolidate with `Sim1D.show`
|
| residuals(self, component)
| Retrieve internal work array value at one point. After calling `Sim1D.eval`,
| this array contains the values of the residual function.
|
| :param component:
| component name
|
| >>> T = d.residuals("T")
|
| .. versionadded:: 3.2
|
| set_bounds(self, *, default=None, Y=None, **kwargs)
| Set the lower and upper bounds on the solution.
|
| The argument list should consist of keyword/value pairs, with
| component names as keywords and (lower bound, upper bound) tuples as
| the values. The keyword ``default`` may be used to specify default
| bounds for all unspecified components. The keyword ``Y`` can be used to
| stand for all species mass fractions in flow domains.
|
| >>> d.set_bounds(default=(0, 1), Y=(-1.0e-5, 2.0))
|
| set_flat_profile(self, component, value)
| Set a flat profile for a component.
|
| :param component:
| component name
| :param v:
| value
|
| >>> d.set_flat_profile('u', -3.0)
|
| .. versionadded:: 3.2
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component in one domain.
|
| :param component:
| component name
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> d.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. versionadded:: 3.2
|
| set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_transient_tolerances(self, *, default=None, Y=None, abs=None, rel=None, **kwargs)
| Set the error tolerances for the steady-state problem.
|
| The argument list should consist of keyword/value pairs, with component names as
| keywords and (relative tolerance, absolute tolerance) tuples as the values.
| The keyword ``default`` may be used to specify default bounds for all
| unspecified components. The keyword ``Y`` can be used to stand for all
| species mass fractions in flow domains. Alternatively, the keywords
| ``abs`` and ``rel`` can be used to specify arrays for the absolute and
| relative tolerances for each solution component.
|
| set_value(self, component, value)
| Set the value of one component at a boundary.
|
| :param component:
| component name
| :param value:
| numerical value
|
| >>> b.set("T", 500.)
|
| .. versionadded:: 3.2
|
| set_values(self, component, values)
| Specify spatial profile of a component.
|
| :param component:
| component name
| :param values:
| array containing values
|
| >>> d.set_values("T", T)
|
| .. versionadded:: 3.2
|
| steady_abstol(self, component=None)
| Return the absolute error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| steady_reltol(self, component=None)
| Return the relative error tolerance for the steady state problem for a
| specified solution component, or all components if none is specified.
|
| tolerances(self, component)
| Return the (relative, absolute) error tolerances for a solution
| component.
|
| >>> rtol, atol = d.tolerances('u')
|
| transient_abstol(self, component=None)
| Return the absolute error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| transient_reltol(self, component=None)
| Return the relative error tolerance for the transient problem for a
| specified solution component, or all components if none is specified.
|
| update_state(self, loc)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| value(self, component)
| Component value at a boundary.
|
| :param component:
| component name
|
| >>> t = b.value("T")
|
| .. versionadded:: 3.2
|
| values(self, component)
| Retrieve spatial profile of a component.
|
| :param component:
| component name
|
| >>> T = d.values("T")
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Domain1D:
|
| component_names
| List of the names of all components of this domain.
|
| domain_type
| String indicating the domain implemented.
|
| grid
| The grid for this domain.
|
| have_user_tolerances
|
| index
| Index of this domain in a stack. Returns -1 if this domain is not part
| of a stack.
|
| n_components
| Number of solution components at each grid point.
|
| n_points
| Number of grid points belonging to this domain.
|
| name
| The name / id of this domain
|
| phase
| Phase describing the domain (that is, a gas phase or surface phase).
|
| settings
| Return comprehensive dictionary describing type, name, and simulation settings
| that are specific to domain types.
|
| .. versionchanged:: 3.0
|
| Added missing domain-specific simulation settings and updated structure.
cantera.Valve
Python Library Documentation: class Valve in module cantera.reactor class Valve(FlowDevice) | In Cantera, a `Valve` is a flow device with mass flow rate that is a | function of the pressure drop across it. The default behavior is linear: | | .. math:: \dot m = K_v*(P_1 - P_2) | | where :math:`K_v` is a constant set using the `valve_coeff` property. | Note that :math:`P_1` must be greater than :math:`P_2`; otherwise, | :math:`\dot m = 0`. However, an arbitrary function can also be specified, | such that | | .. math:: \dot m = K_v*f(P_1 - P_2) | | where :math:`f` is the arbitrary function that multiplies :math:`K_v` given | a single argument, the pressure differential. Further, a valve opening function | :math:`g` may be specified using the `time_function` property, such that | | .. math:: \dot m = K_v*g(t)*f(P_1 - P_2) | | See the documentation for the `valve_coeff` property as well as the | `pressure_function` and `time_function` properties for examples. Note that | it is never possible for the flow to reverse and go from the downstream to the | upstream reactor/reservoir through a line containing a `Valve` object. | | `Valve` objects are often used between an upstream reactor and a | downstream reactor or reservoir to maintain them both at nearly the same | pressure. By setting the constant :math:`K_v` to a sufficiently large | value, very small pressure differences will result in flow between the | reactors that counteracts the pressure difference. | | Method resolution order: | Valve | FlowDevice | ConnectorNode | builtins.object | | Methods defined here: | | __init__(self, /, *args, **kwargs) | Initialize self. See help(type(self)) for accurate signature. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | valve_coeff | Set valve coefficient, that is, the proportionality constant between mass | flow rate and pressure drop [kg/s/Pa]. | | >>> v = Valve(res1, reactor1) | >>> v.valve_coeff = 1e-4 # Set the value of K to a constant | >>> v.valve_coeff # Get the value of K | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | node_type = 'Valve' | | ---------------------------------------------------------------------- | Methods inherited from FlowDevice: | | draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None) | Draw as connection between upstream and downstream reactor or reservoir using | ``graphviz``. | | :param graph: | ``graphviz.graphs.BaseGraph`` object to which the connection is added. | If not provided, a new ``DiGraph`` is created. Defaults to ``None`` | :param graph_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the general appearance of the drawn network. | Has no effect if existing ``graph`` is provided. | See https://graphviz.org/docs/graph/ for a list of all usable attributes. | :param node_attr: | Attributes to be passed to the ``graphviz.Digraph`` function that control | the default appearance of any ``node`` (reactors, reservoirs). | Has no effect if existing ``graph`` is provided. | See https://graphviz.org/docs/nodes/ for a list of all usable attributes. | :param edge_attr: | Attributes to be passed to the ``edge`` method invoked to draw this flow | controller connection. | See https://graphviz.org/docs/edges/ for a list of all usable attributes. | :return: | A ``graphviz.graphs.BaseGraph`` object depicting the connection. | | .. versionadded:: 3.1 | | ---------------------------------------------------------------------- | Data descriptors inherited from FlowDevice: | | device_coefficient | Device coefficient (defined by derived class). | | Example: | | >>> v = Valve(res1, reactor1) | >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient' | | .. versionadded:: 3.2 | | downstream | Return the `Reactor` or `Reservoir` object downstream of the flow device. | | .. versionadded:: 3.1 | | mass_flow_rate | Get the mass flow rate [kg/s] through this device at the current reactor | network time. | | pressure_function | The relationship between mass flow rate and the pressure drop across a flow | device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and | a coefficient set by a flow device specific function. Unless a user-defined | pressure function is provided, the function returns the pressure difference | across the device. The calculation of mass flow rate depends on the flow device. | | >>> f = FlowDevice(res1, reactor1) | >>> f.pressure_function = lambda dP: dP**2 | | where `FlowDevice` is either a `Valve` or `PressureController` object. | | .. versionadded:: 3.0 | | time_function | The time dependence of a flow device. The mass flow rate [kg/s] is calculated | for a Flow device, and multiplied by a function of time, which returns 1.0 | unless a user-defined function is provided. The calculation of mass flow rate | depends on the flow device. | | >>> f = FlowDevice(res1, reactor1) | >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2) | | where `FlowDevice` is either a `Valve` or `MassFlowController` object. | | .. versionadded:: 3.0 | | upstream | Return the `Reactor` or `Reservoir` object upstream of the flow device. | | .. versionadded:: 3.1 | | ---------------------------------------------------------------------- | Methods inherited from ConnectorNode: | | __copy__(self) | | __reduce__(self) | | ---------------------------------------------------------------------- | Data descriptors inherited from ConnectorNode: | | edge_attr | A dictionary containing draw attributes for the representation of the `WallBase` as | a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable | attributes. | | .. versionadded:: 3.1 | | name | The name of the connector. | | type | The type of the connector.
cantera.Wall
Python Library Documentation: class Wall in module cantera.reactor
class Wall(WallBase)
| A Wall separates two reactors, or a reactor and a reservoir. A wall has a
| finite area, may conduct or radiate heat between the two reactors on either
| side, and may move like a piston.
|
| Walls are stateless objects in Cantera, meaning that no differential
| equation is integrated to determine any wall property. Since it is the wall
| (piston) velocity that enters the energy equation, this means that it is
| the velocity, not the acceleration or displacement, that is specified.
| The wall velocity is computed from
|
| .. math:: v = K(P_{\rm left} - P_{\rm right}) + v_0(t),
|
| where :math:`K` is a non-negative constant, and :math:`v_0(t)` is a
| specified function of time. The velocity is positive if the wall is
| moving to the right.
|
| The heat flux through the wall is computed from
|
| .. math:: q = U(T_{\rm left} - T_{\rm right}) + \epsilon\sigma (T_{\rm left}^4 - T_{\rm right}^4) + q_0(t),
|
| where :math:`U` is the overall heat transfer coefficient for
| conduction/convection, and :math:`\epsilon` is the emissivity. The function
| :math:`q_0(t)` is a specified function of time. The heat flux is positive
| when heat flows from the reactor on the left to the reactor on the right.
|
| Method resolution order:
| Wall
| WallBase
| ConnectorNode
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| emissivity
| The emissivity (nondimensional)
|
| expansion_rate_coeff
| The coefficient *K* [m/s/Pa] that determines the velocity of the wall
| as a function of the pressure difference between the adjacent reactors.
|
| heat_flux
| Heat flux [W/m²] across the wall. May be either set to a constant or
| an arbitrary function of time. See `Func1`.
|
| .. versionadded:: 3.0
|
| heat_transfer_coeff
| The overall heat transfer coefficient [W/m²/K].
|
| velocity
| The wall velocity [m/s]. May be either set to a constant or an arbitrary
| function of time. See `Func1`.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| node_type = 'Wall'
|
| ----------------------------------------------------------------------
| Methods inherited from WallBase:
|
| __init__(...)
| :param left:
| Reactor or reservoir on the left. Required.
| :param right:
| Reactor or reservoir on the right. Required.
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<wall_type>_n'`` when when associated `Reactor` objects
| are installed within a `ReactorNet`. For the latter, ``<wall_type>`` is
| the type of the wall and *n* is an integer assigned in the order walls are
| detected.
| :param A:
| Wall area [m²]. Defaults to 1.0 m².
| :param K:
| Wall expansion rate parameter [m/s/Pa]. Defaults to 0.0.
| :param U:
| Overall heat transfer coefficient [W/m²/K]. Defaults to 0.0
| (adiabatic wall).
| :param Q:
| Heat flux function :math:`q_0(t)` [W/m²]. Optional. Default:
| :math:`q_0(t) = 0.0`.
| :param velocity:
| Wall velocity function :math:`v_0(t)` [m/s].
| Default: :math:`v_0(t) = 0.0`.
| :param edge_attr:
| Attributes like ``style`` when drawn as a connecting edge using
| graphviz's dot language. Default is ``{}``.
|
| .. versionadded:: 3.1
| Added the ``edge_attr`` parameter.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None, moving_wall_edge_attr=None, show_wall_velocity=True)
| Draw as connection between left and right reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this wall
| connection.
| Default is ``{"color": "red", "style": "dashed"}``.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :param moving_wall_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing wall movement.
| Default is ``{"arrowtail": "icurveteecurve", "dir": "both",
| "style": "dotted", "arrowhead": "icurveteecurve"}``.
| :param show_wall_velocity:
| If ``True``, wall movement will be indicated by additional arrows with the
| corresponding wall velocity as a label.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Data descriptors inherited from WallBase:
|
| area
| The wall area [m²].
|
| expansion_rate
| Get the rate of volumetric change [m³/s] associated with the wall at the
| current reactor network time. A positive value corresponds to the left-hand
| reactor volume increasing, and the right-hand reactor volume decreasing.
|
| .. versionadded:: 3.0
|
| heat_rate
| Get the total heat flux [W] through the wall at the current reactor network
| time. A positive value corresponds to heat flowing from the left-hand reactor
| to the right-hand one.
|
| .. versionadded:: 3.0
|
| left_reactor
| Return the `Reactor` or `Reservoir` object left of the wall.
|
| .. versionadded:: 3.1
|
| right_reactor
| Return the `Reactor` or `Reservoir` object right of the wall.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
cantera.WallBase
Python Library Documentation: class WallBase in module cantera.reactor
class WallBase(ConnectorNode)
| Common base class for walls.
|
| Method resolution order:
| WallBase
| ConnectorNode
| builtins.object
|
| Methods defined here:
|
| __init__(...)
| :param left:
| Reactor or reservoir on the left. Required.
| :param right:
| Reactor or reservoir on the right. Required.
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<wall_type>_n'`` when when associated `Reactor` objects
| are installed within a `ReactorNet`. For the latter, ``<wall_type>`` is
| the type of the wall and *n* is an integer assigned in the order walls are
| detected.
| :param A:
| Wall area [m²]. Defaults to 1.0 m².
| :param K:
| Wall expansion rate parameter [m/s/Pa]. Defaults to 0.0.
| :param U:
| Overall heat transfer coefficient [W/m²/K]. Defaults to 0.0
| (adiabatic wall).
| :param Q:
| Heat flux function :math:`q_0(t)` [W/m²]. Optional. Default:
| :math:`q_0(t) = 0.0`.
| :param velocity:
| Wall velocity function :math:`v_0(t)` [m/s].
| Default: :math:`v_0(t) = 0.0`.
| :param edge_attr:
| Attributes like ``style`` when drawn as a connecting edge using
| graphviz's dot language. Default is ``{}``.
|
| .. versionadded:: 3.1
| Added the ``edge_attr`` parameter.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None, moving_wall_edge_attr=None, show_wall_velocity=True)
| Draw as connection between left and right reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this wall
| connection.
| Default is ``{"color": "red", "style": "dashed"}``.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :param moving_wall_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing wall movement.
| Default is ``{"arrowtail": "icurveteecurve", "dir": "both",
| "style": "dotted", "arrowhead": "icurveteecurve"}``.
| :param show_wall_velocity:
| If ``True``, wall movement will be indicated by additional arrows with the
| corresponding wall velocity as a label.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| area
| The wall area [m²].
|
| expansion_rate
| Get the rate of volumetric change [m³/s] associated with the wall at the
| current reactor network time. A positive value corresponds to the left-hand
| reactor volume increasing, and the right-hand reactor volume decreasing.
|
| .. versionadded:: 3.0
|
| heat_rate
| Get the total heat flux [W] through the wall at the current reactor network
| time. A positive value corresponds to heat flowing from the left-hand reactor
| to the right-hand one.
|
| .. versionadded:: 3.0
|
| left_reactor
| Return the `Reactor` or `Reservoir` object left of the wall.
|
| .. versionadded:: 3.1
|
| right_reactor
| Return the `Reactor` or `Reservoir` object right of the wall.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ConnectorNode:
|
| node_type = 'none'
cantera.Water
Python Library Documentation: function Water in module cantera.liquidvapor
Water(backend: Literal['Reynolds', 'IAPWS95'] = 'Reynolds') -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for water and the
`WaterTransport` class for viscosity and thermal conductivity.
The object returned by this method implements an accurate equation of state
for water, where implementations are selected using the ``backend`` switch.
For the ``Reynolds`` backend, the equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances.* Stanford: Stanford
University, 1979. Print.
which can be used in the liquid, vapor, saturated liquid/vapor, and
supercritical regions of the phase diagram.
The ``IAPWS95`` backend implements an IAPWS (International Association for
the Properties of Water and Steam) formulation for thermodynamic properties
taken from
W. Wagner, A. Pruss, *The IAPWS Formulation 1995 for the Thermodynamic
Properties of Ordinary Water Substance for General and Scientific Use,*
J. Phys. Chem. Ref. Dat, 31, 387, 2002.
which currently only implements liquid and supercritical regions.
In both cases, formulas for transport are taken from
J. V. Sengers, J. T. R. Watson, *Improved International Formulations for
the Viscosity and Thermal Conductivity of Water Substance,* J. Phys.
Chem. Ref. Data, 15, 1291, 1986.
For more details, see classes :ct:`PureFluidPhase`, :ct:`tpx::water`,
:ct:`WaterSSTP` and :ct:`WaterTransport` in the Cantera C++ source
code documentation.
cantera.YamlWriter
Python Library Documentation: class YamlWriter in module cantera.yamlwriter class YamlWriter(builtins.object) | A class for generating full YAML input files from multiple Solution objects | | Methods defined here: | | __copy__(self) | | __reduce__(self) | | add_solution(self, soln) | Include a phase definition for the specified Solution object | | set_header(self, soln) | Include top-level information for the specified Solution object | | to_file(self, filename) | Write the definitions for the added phases, species and reactions to | the specified file. | | to_string(self) | Return a YAML string that contains the definitions for the added phases, | species, and reactions. | | ---------------------------------------------------------------------- | Static methods defined here: | | __new__(*args, **kwargs) | Create and return a new object. See help(type) for accurate signature. | | ---------------------------------------------------------------------- | Data descriptors defined here: | | output_units | Set the units to be used in the output file. Dimensions not specified | will use Cantera's defaults. | | :param units: | A `UnitSystem` object or map where keys are dimensions (mass, length, time, | quantity, pressure, energy, activation-energy), and the values are | corresponding units such as kg, mm, s, kmol, Pa, cal, and eV. | | precision | For output floating point values, set the maximum number of digits to | the right of the decimal point. The default is 15 digits. | | skip_user_defined | By default user-defined data present in the input is preserved on | output. This method can be used to skip output of user-defined data | fields which are not directly used by Cantera. | | ---------------------------------------------------------------------- | Data and other attributes defined here: | | __pyx_vtable__ = <capsule object NULL>
cantera.add_data_directory
Python Library Documentation: cython_function_or_method in module cantera._utils
add_data_directory(directory)
Add a directory to search for Cantera data files.
cantera.add_directory
Python Library Documentation: cython_function_or_method in module cantera._utils
add_directory(directory)
Add a directory to search for Cantera data files.
.. deprecated:: 3.2
To be removed after Cantera 3.2. Renamed to `add_data_directory`.
cantera.add_module_directory
Python Library Documentation: function add_module_directory in module cantera.utils
add_module_directory() -> None
Add the directory containing the module from which this function is called
to the Cantera input file search path.
.. deprecated:: 3.2
To be removed after Cantera 3.2.
cantera.appdelete
Python Library Documentation: cython_function_or_method in module cantera._utils
appdelete()
Delete all global Cantera C++ objects
cantera.avogadro
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.boltzmann
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.cantera
Python Library Documentation: package cantera
NAME
cantera
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
PACKAGE CONTENTS
_cantera
_types
ck2yaml
composite
cti2yaml
ctml2yaml
data
drawnetwork
interrupts
liquidvapor
lxcat2yaml
onedim
utils
with_units (package)
yaml2ck
SUBMODULES
_onedim
_utils
constants
delegator
func1
jacobians
kinetics
mixture
reaction
reactionpath
reactor
solutionbase
speciesthermo
thermo
transport
units
yamlwriter
DATA
__git_commit__ = '4a8358e'
__sundials_version__ = '7.4.0'
avogadro = 6.02214076e+26
boltzmann = 1.380649e-23
electron_charge = 1.602176634e-19
electron_mass = 9.1093837015e-31
epsilon_0 = 8.854187812773345e-12
faraday = 96485332.12331001
gas_constant = 8314.46261815324
light_speed = 299792458.0
one_atm = 101325.0
permeability_0 = 1.2566370621238376e-06
planck = 6.62607015e-34
stefan_boltzmann = 5.6703744191844314e-08
VERSION
3.2.0
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\__init__.py
cantera.composite
Python Library Documentation: module cantera.composite in cantera
NAME
cantera.composite
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
CLASSES
builtins.object
Quantity
cantera.kinetics.InterfaceKinetics(cantera.kinetics.Kinetics)
Interface(cantera.kinetics.InterfaceKinetics, cantera.thermo.InterfacePhase)
cantera.kinetics.Kinetics(cantera.solutionbase._SolutionBase)
DustyGas(cantera.transport.DustyGasTransport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
Solution(cantera.transport.Transport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
cantera.solutionbase.SolutionArrayBase(builtins.object)
SolutionArray
cantera.thermo.InterfacePhase(cantera.thermo.ThermoPhase)
Interface(cantera.kinetics.InterfaceKinetics, cantera.thermo.InterfacePhase)
cantera.thermo.ThermoPhase(cantera.solutionbase._SolutionBase)
DustyGas(cantera.transport.DustyGasTransport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
Solution(cantera.transport.Transport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
cantera.transport.DustyGasTransport(cantera.transport.Transport)
DustyGas(cantera.transport.DustyGasTransport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
cantera.transport.Transport(cantera.solutionbase._SolutionBase)
Solution(cantera.transport.Transport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
class DustyGas(cantera.transport.DustyGasTransport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
| A composite class which models a gas in a stationary, solid, porous medium.
|
| The only transport properties computed are the multicomponent diffusion
| coefficients. The model does not compute viscosity or thermal conductivity.
|
| Method resolution order:
| DustyGas
| cantera.transport.DustyGasTransport
| cantera.transport.Transport
| cantera.kinetics.Kinetics
| cantera.thermo.ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods inherited from cantera.transport.DustyGasTransport:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| molar_fluxes(self, T1, T2, rho1, rho2, Y1, Y2, delta)
| Get the molar fluxes [kmol/m²/s], given the thermodynamic state at
| two nearby points.
|
| :param T1:
| Temperature [K] at the first point
| :param T2:
| Temperature [K] at the second point
| :param rho1:
| Density [kg/m³] at the first point
| :param rho2:
| Density [kg/m³] at the second point
| :param Y1:
| Array of mass fractions at the first point. Length `n_species`.
| :param Y2:
| Array of mass fractions at the second point. Length `n_species`.
| :param delta:
| Distance [m] between the two points.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.transport.DustyGasTransport:
|
| __new__(*args, **kwargs) class method of cantera.transport.DustyGasTransport
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.transport.DustyGasTransport:
|
| mean_particle_diameter
| Mean particle diameter of the porous medium [m].
|
| mean_pore_radius
| Mean pore radius of the porous medium [m].
|
| permeability
| Permeability of the porous medium [m²].
|
| porosity
| Porosity of the porous medium [dimensionless].
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
| Returns the thermal conductivity of the ideal gas object using the
| multicomponent model. The value is not specific to the dusty gas model.
|
| tortuosity
| Tortuosity of the porous medium [dimensionless].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.transport.Transport:
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.transport.Transport:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.kinetics.Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.kinetics.Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from cantera.thermo.ThermoPhase:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
class Interface(cantera.kinetics.InterfaceKinetics, cantera.thermo.InterfacePhase)
| Instances of class `Interface` represent reacting 2D surfaces between bulk 3D
| phases, or 1D edges where multiple surfaces (and bulk phases) meet. Class
| `Interface` defines no methods of its own. All of its methods derive from either
| `InterfacePhase` or `InterfaceKinetics`.
|
| Constructing an `Interface` object also involves constructing adjacent bulk phases
| that participate in reactions. This is done automatically if the adjacent phases
| are specified as part of the ``adjacent-phases`` entry in the YAML phase definition::
|
| diamond_surf = ct.Interface("diamond.yaml", name="diamond_100")
| gas = diamond_surf.adjacent["gas"]
| diamond = diamond_surf.adjacent["diamond"]
|
| This behavior can be overridden by specifying the adjacent phases explicitly,
| either using their name in the input file, or by constructing corresponding
| `Solution` objects::
|
| gas = ct.Solution("diamond.yaml", name="gas")
| diamond = ct.Solution("diamond.yaml", name="diamond")
| diamond_surf = ct.Interface("diamond.yaml", name="diamond_100",
| adjacent=[gas, diamond])
|
| Method resolution order:
| Interface
| cantera.kinetics.InterfaceKinetics
| cantera.kinetics.Kinetics
| cantera.thermo.InterfacePhase
| cantera.thermo.ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods inherited from cantera.kinetics.InterfaceKinetics:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| advance_coverages(self, dt, rtol=1e-07, atol=1e-14, max_step_size=0.0, max_steps=20000, max_error_test_failures=7)
| This method carries out a time-accurate advancement of the surface
| coverages for a specified amount of time.
|
| advance_coverages_to_steady_state(self)
| This method advances the surface coverages to steady state.
|
| get_creation_rates(self, phase)
| Creation rates for each species in phase ``phase``. Use the
| `creation_rates` property to get the creation rates for species in all
| phases.
|
| get_destruction_rates(self, phase)
| Destruction rates for each species in phase ``phase``. Use the
| `destruction_rates` property to get the destruction rates for species
| in all phases.
|
| get_net_production_rates(self, phase)
| Net production rates for each species in phase ``phase``. Use the
| `net_production_rates` property to get the net production rates for
| species in all phases.
|
| interface_current(self, phase)
| The interface current is useful when charge transfer reactions occur at
| an interface. It is defined here as the net positive charge entering the
| phase ``phase`` (Units: A/m² for a surface, A/m for an edge reaction).
|
| phase_index(self, phase)
| Get the index of the phase ``phase``, where ``phase`` may specified using
| the phase object, the name, or the index itself.
|
| write_yaml(self, filename, phases=None, units=None, precision=None, skip_user_defined=None)
| See `_SolutionBase.write_yaml <cantera._cantera._SolutionBase.write_yaml>`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.kinetics.InterfaceKinetics:
|
| __new__(*args, **kwargs) class method of cantera.kinetics.InterfaceKinetics
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.kinetics.Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.kinetics.Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.InterfacePhase:
|
| set_unnormalized_coverages(self, cov)
| Set the surface coverages without normalizing to force sum(cov) == 1.0.
| Useful primarily when calculating derivatives with respect to cov[k] by
| finite difference.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.InterfacePhase:
|
| adjacent
| A dictionary containing higher-dimensional phases adjacent to this interface,
| for example bulk phases adjacent to a surface.
|
| coverages
| Get/Set the fraction of sites covered by each species.
|
| site_density
| Get/Set the site density. [kmol/m²] for surface phases; [kmol/m] for
| edge phases.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from cantera.thermo.InterfacePhase:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
class Quantity(builtins.object)
| Quantity(phase, mass=None, moles=None, constant='UV')
|
| A class representing a specific quantity of a `Solution`. In addition to the
| properties which can be computed for class `Solution`, class `Quantity`
| provides several additional capabilities. A `Quantity` object is created
| from a `Solution` with either the mass or number of moles specified::
|
| >>> gas = ct.Solution('gri30.yaml')
| >>> gas.TPX = 300, 5e5, 'O2:1.0, N2:3.76'
| >>> q1 = ct.Quantity(gas, mass=5) # 5 kg of air
|
| The state of a `Quantity` can be changed in the same way as a `Solution`::
|
| >>> q1.TP = 500, 101325
|
| Quantities have properties which provide access to extensive properties::
|
| >>> q1.volume
| 7.1105094
| >>> q1.enthalpy
| 1032237.84
|
| The size of a `Quantity` can be changed by setting the mass or number of
| moles::
|
| >>> q1.moles = 3
| >>> q1.mass
| 86.552196
| >>> q1.volume
| 123.086
|
| or by multiplication::
|
| >>> q1 *= 2
| >>> q1.moles
| 6.0
|
| Finally, Quantities can be added, providing an easy way of calculating the
| state resulting from mixing two substances::
|
| >>> q1.mass = 5
| >>> q2 = ct.Quantity(gas)
| >>> q2.TPX = 300, 101325, 'CH4:1.0'
| >>> q2.mass = 1
| >>> q3 = q1 + q2 # combine at constant UV
| >>> q3.T
| 432.31234
| >>> q3.P
| 97974.9871
| >>> q3.mole_fraction_dict()
| {'CH4': 0.26452900448117395,
| 'N2': 0.5809602821745349,
| 'O2': 0.1545107133442912}
|
| If a different property pair should be held constant when combining, this
| can be specified as follows::
|
| >>> q1.constant = q2.constant = 'HP'
| >>> q3 = q1 + q2 # combine at constant HP
| >>> q3.T
| 436.03320
| >>> q3.P
| 101325.0
|
| Methods defined here:
|
| __add__(self, other)
|
| __iadd__(self, other)
|
| __imul__(self, other)
|
| __init__(self, phase, mass=None, moles=None, constant='UV')
| Initialize self. See help(type(self)) for accurate signature.
|
| __mul__(self, other)
|
| __rmul__(self, other)
|
| add_reaction = f(self, *args, **kwargs) from _method.<locals>
| Add a new reaction to this phase.
|
| add_species = f(self, *args, **kwargs) from _method.<locals>
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias = f(self, *args, **kwargs) from _method.<locals>
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight = f(self, *args, **kwargs) from _method.<locals>
| Atomic weight [kg/kmol] of element ``m``
|
| clear_user_data = f(self, *args, **kwargs) from _method.<locals>
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header = f(self, *args, **kwargs) from _method.<locals>
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| element_index = f(self, *args, **kwargs) from _method.<locals>
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name = f(self, *args, **kwargs) from _method.<locals>
| Name of the element with index ``m``.
|
| elemental_mass_fraction = f(self, *args, **kwargs) from _method.<locals>
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction = f(self, *args, **kwargs) from _method.<locals>
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY=None, *args, **kwargs)
| Set the state to equilibrium. By default, the property pair
| `self.constant` is held constant. See `ThermoPhase.equilibrate`.
|
| equivalence_ratio = f(self, *args, **kwargs) from _method.<locals>
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers = f(self, *args, **kwargs) from _method.<locals>
| Find species/isomers matching a composition specified by ``comp``.
|
| get_binary_diff_coeffs_polynomial = f(self, *args, **kwargs) from _method.<locals>
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials = f(self, *args, **kwargs) from _method.<locals>
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial = f(self, *args, **kwargs) from _method.<locals>
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial = f(self, *args, **kwargs) from _method.<locals>
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| kinetics_species_index = f(self, *args, **kwargs) from _method.<locals>
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name = f(self, *args, **kwargs) from _method.<locals>
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| mass_fraction_dict = f(self, *args, **kwargs) from _method.<locals>
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction = f(self, *args, **kwargs) from _method.<locals>
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_reaction = f(self, *args, **kwargs) from _method.<locals>
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| modify_species = f(self, *args, **kwargs) from _method.<locals>
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict = f(self, *args, **kwargs) from _method.<locals>
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| multiplier = f(self, *args, **kwargs) from _method.<locals>
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| n_atoms = f(self, *args, **kwargs) from _method.<locals>
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| product_stoich_coeff = f(self, *args, **kwargs) from _method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff = f(self, *args, **kwargs) from _method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction = f(self, *args, **kwargs) from _method.<locals>
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations = f(self, *args, **kwargs) from _method.<locals>
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions = f(self, *args, **kwargs) from _method.<locals>
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| report = f(self, *args, **kwargs) from _method.<locals>
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_binary_diff_coeffs_polynomial = f(self, *args, **kwargs) from _method.<locals>
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial = f(self, *args, **kwargs) from _method.<locals>
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_discretized_electron_energy_distribution = f(self, *args, **kwargs) from _method.<locals>
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_multiplier = f(self, *args, **kwargs) from _method.<locals>
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| set_thermal_conductivity_polynomial = f(self, *args, **kwargs) from _method.<locals>
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial = f(self, *args, **kwargs) from _method.<locals>
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| species = f(self, *args, **kwargs) from _method.<locals>
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index = f(self, *args, **kwargs) from _method.<locals>
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name = f(self, *args, **kwargs) from _method.<locals>
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio = f(self, *args, **kwargs) from _method.<locals>
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution = f(self, *args, **kwargs) from _method.<locals>
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| update_user_data = f(self, *args, **kwargs) from _method.<locals>
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header = f(self, *args, **kwargs) from _method.<locals>
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin = f(self, *args, **kwargs) from _method.<locals>
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml = f(self, *args, **kwargs) from _method.<locals>
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| G
| Get the total Gibbs free energy [J] represented by the `Quantity`.
|
| H
| Get the total enthalpy [J] represented by the `Quantity`.
|
| S
| Get the total entropy [J/K] represented by the `Quantity`.
|
| U
| Get the total internal energy [J] represented by the `Quantity`.
|
| V
| Get the total volume [m³] represented by the `Quantity`.
|
| enthalpy
| Get the total enthalpy [J] represented by the `Quantity`.
|
| entropy
| Get the total entropy [J/K] represented by the `Quantity`.
|
| gibbs
| Get the total Gibbs free energy [J] represented by the `Quantity`.
|
| int_energy
| Get the total internal energy [J] represented by the `Quantity`.
|
| phase
| Get the underlying `Solution` object, with the state set to match the
| wrapping `Quantity` object.
|
| volume
| Get the total volume [m³] represented by the `Quantity`.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| constant
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| mass
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| moles
| Get/Set the number of moles [kmol] represented by the `Quantity`.
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| quadrature_method
| Quadrature method
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| sound_speed
| Speed of sound [m/s].
|
| source
| The source of this object (such as a file name).
|
| species_names
| A list of all the species names.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| viscosity
| Viscosity [Pa-s].
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
class Solution(cantera.transport.Transport, cantera.kinetics.Kinetics, cantera.thermo.ThermoPhase)
| A class for chemically-reacting solutions. Instances can be created to
| represent any type of solution -- a mixture of gases, a liquid solution, or
| a solid solution, for example.
|
| Class `Solution` derives from classes `ThermoPhase`, `Kinetics`, and
| `Transport`. It defines no methods of its own, and is provided so that a
| single object can be used to compute thermodynamic, kinetic, and transport
| properties of a solution.
|
| To skip initialization of the Transport object, pass the keyword argument
| ``transport_model=None`` to the `Solution` constructor.
|
| The most common way to instantiate `Solution` objects is by using a phase
| definition, species and reactions defined in an input file::
|
| gas = ct.Solution('gri30.yaml')
|
| If an input file defines multiple phases, the corresponding key in the
| ``phases`` map can be used to specify the desired phase via the ``name`` keyword
| argument of the constructor::
|
| gas = ct.Solution('diamond.yaml', name='gas')
| diamond = ct.Solution('diamond.yaml', name='diamond')
|
| The name of the `Solution` object defaults to the value of the ``name`` field in
| the input file. Upon initialization of a `Solution` object, a custom name can
| assigned via::
|
| gas.name = 'my_custom_name'
|
| `Solution` objects can also be constructed using `Species` and `Reaction`
| objects which can themselves either be imported from input files or defined
| directly in Python::
|
| spec = ct.Species.list_from_file("gri30.yaml")
| spec_gas = ct.Solution(thermo='ideal-gas', species=spec)
| rxns = ct.Reaction.list_from_file("gri30.yaml", spec_gas)
| gas = ct.Solution(thermo='ideal-gas', kinetics='gas',
| species=spec, reactions=rxns, name='my_custom_name')
|
| where the ``thermo`` and ``kinetics`` keyword arguments are strings
| specifying the thermodynamic and kinetics model, respectively, and
| ``species`` and ``reactions`` keyword arguments are lists of `Species` and
| `Reaction` objects, respectively. Note that importing the reactions from a
| YAML input file requires a `Kinetics` object containing the species, as
| shown.
|
| Types of underlying models that form the composite `Solution` object are
| queried using the ``thermo_model``, ``kinetics_model`` and
| ``transport_model`` attributes; further, the ``composite`` attribute is a
| shorthand returning a tuple containing the types of the three constitutive
| models.
|
| For non-trivial uses cases of this functionality, see the examples
| :doc:`extract_submechanism.py </examples/python/kinetics/extract_submechanism>`
| :doc:`mechanism_reduction.py </examples/python/kinetics/mechanism_reduction>`.
|
| In addition, `Solution` objects can be constructed by passing the text of
| the YAML phase definition in directly, using the ``yaml`` keyword
| argument::
|
| yaml_def = '''
| phases:
| - name: gas
| thermo: ideal-gas
| kinetics: gas
| elements: [O, H, Ar]
| species:
| - gri30.yaml/species: all
| reactions:
| - gri30.yaml/reactions: declared-species
| skip-undeclared-elements: true
| skip-undeclared-third-bodies: true
| state: {T: 300, P: 1 atm}
| '''
| gas = ct.Solution(yaml=yaml_def)
|
| Method resolution order:
| Solution
| cantera.transport.Transport
| cantera.kinetics.Kinetics
| cantera.thermo.ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods inherited from cantera.transport.Transport:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.transport.Transport:
|
| __new__(*args, **kwargs) class method of cantera.transport.Transport
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.transport.Transport:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.kinetics.Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.kinetics.Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.thermo.ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.thermo.ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from cantera.thermo.ThermoPhase:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
class SolutionArray(cantera.solutionbase.SolutionArrayBase)
| SolutionArray(phase, shape=(0,), states=None, extra=None, meta=None, init=True)
|
| A class providing a convenient interface for representing many thermodynamic
| states using the same `Solution` object and computing properties for that
| array of states.
|
| `SolutionArray` can represent both 1D and multi-dimensional arrays of states,
| with shapes described in the same way as *NumPy* arrays. All of the states
| can be set in a single call::
|
| >>> gas = ct.Solution('gri30.yaml')
| >>> states = ct.SolutionArray(gas, (6, 10))
| >>> T = np.linspace(300, 1000, 10) # row vector
| >>> P = ct.one_atm * np.linspace(0.1, 5.0, 6)[:,np.newaxis] # column vector
| >>> X = 'CH4:1.0, O2:1.0, N2:3.76'
| >>> states.TPX = T, P, X
|
| Similar to *NumPy* arrays, input with fewer non-singleton dimensions than the
| `SolutionArray` is 'broadcast' to generate input of the appropriate shape. In
| the above example, the single value for the mole fraction input is applied
| to each input, while each row has a constant temperature and each column has
| a constant pressure.
|
| Computed properties are returned as *NumPy* arrays with the same shape as the
| array of states, with additional dimensions appended as necessary for non-
| scalar output (for example, per-species or per-reaction properties)::
|
| >>> h = states.enthalpy_mass
| >>> h[i,j] # -> enthalpy at P[i] and T[j]
| >>> sk = states.partial_molar_entropies
| >>> sk[i,:,k] # -> entropy of species k at P[i] and each temperature
| >>> ropnet = states.net_rates_of_progress
| >>> ropnet[i,j,n] # -> net reaction rate for reaction n at P[i] and T[j]
|
| In the case of 1D arrays, additional states can be appended one at a time::
|
| >>> states = ct.SolutionArray(gas) # creates an empty SolutionArray
| >>> for phi in np.linspace(0.5, 2.0, 20):
| ... states.append(T=300, P=ct.one_atm,
| ... X={'CH4': phi, 'O2': 2, 'N2': 2*3.76})
| >>> # 'states' now contains 20 elements
| >>> states.equilibrate('HP')
| >>> states.T # -> adiabatic flame temperature at various equivalence ratios
|
| `SolutionArray` objects can also be 'sliced' like *NumPy* arrays, which can be
| used both for accessing and setting properties::
|
| >>> states = ct.SolutionArray(gas, (6, 10))
| >>> states[0].TP = 400, None # set the temperature of the first row to 400 K
| >>> cp = states[:,1].cp_mass # heat capacity of the second column
|
| If many slices or elements of a property are going to be accessed (for example,
| within a loop), it is generally more efficient to compute the property array
| once and access this directly, rather than repeatedly slicing the
| `SolutionArray` object, for example::
|
| >>> mu = states.viscosity
| >>> for i,j in np.ndindex(mu.shape):
| ... # do something with mu[i,j]
|
| Information about a subset of species may also be accessed, using
| parentheses to specify the species::
|
| >>> states('CH4').Y # -> mass fraction of CH4 in each state
| >>> states('H2','O2').partial_molar_cp # -> cp for H2 and O2
|
| Properties and functions which are not dependent on the thermodynamic state
| act as pass-throughs to the underlying `Solution` object, and are not
| converted to arrays::
|
| >>> states.element_names
| ['O', 'H', 'C', 'N', 'Ar']
| >>> s.reaction_equation(10)
| 'CH4 + O <=> CH3 + OH'
|
| Data represented by a `SolutionArray` can be extracted to a CSV file using the
| `save` method::
|
| >>> states.save('somefile.csv', basis="mole')
|
| As an alternative to the CSV format, `SolutionArray` objects can also be saved in
| YAML or HDF formats, where the keyword argument ``id`` allows for saving and
| accessing of multiple solutions in a single container file::
|
| >>> states.save('somefile.yaml', id='some_key')
|
| YAML and HDF files can be read back into `SolutionArray` objects using the
| `restore` method::
|
| >>> states = ct.SolutionArray(gas)
| >>> states.restore('somefile.yaml', id='some_key')
|
| As long as stored columns in a CSV file specify a valid thermodynamic state, the
| contents of a `SolutionArray` can be restored using the `read_csv` method, which
| is specific to the Python API::
|
| >>> states = ct.SolutionArray(gas)
| >>> states.read_csv('somefile.csv')
|
| Note that `save` and `restore` for HDF requires Cantera to be compiled with HDF
| support, as it depends on external *HighFive* and *HDF5* libraries.
|
| :param phase: The `Solution` object used to compute the thermodynamic,
| kinetic, and transport properties
| :param shape: A tuple or integer indicating the dimensions of the
| `SolutionArray`. If the shape is 1D, the array may be extended using the
| `append` method. Otherwise, the shape is fixed.
| :param states: The initial array of states. Used internally to provide
| slicing support.
|
| Method resolution order:
| SolutionArray
| cantera.solutionbase.SolutionArrayBase
| builtins.object
|
| Methods defined here:
|
| __call__(self, *species)
| Call self as a function.
|
| __copy__(self)
|
| __getattr__(self, name)
|
| __getitem__(self, index)
|
| __init__(self, phase, shape=(0,), states=None, extra=None, meta=None, init=True)
| Initialize self. See help(type(self)) for accurate signature.
|
| __len__(self) -> 'int'
|
| __reduce__(self)
| Helper for pickle.
|
| __setattr__(self, name, value)
| Implement setattr(self, name, value).
|
| append(self, state=None, normalize=True, **kwargs)
| Append an element to the array with the specified state. Elements can
| only be appended in cases where the array of states is one-dimensional.
|
| The state may be specified in one of three ways:
|
| - as the array of [temperature, density, mass fractions] which is
| returned by `Solution.state`::
|
| mystates.append(gas.state)
|
| - as a tuple of three elements that corresponds to any of the full-state
| setters of `Solution`, such as `TPY` or `HPX`::
|
| mystates.append(TPX=(300, 101325, 'O2:1.0, N2:3.76'))
|
| - as separate keywords for each of the elements corresponding to one of
| the full-state setters::
|
| mystates.append(T=300, P=101325, X={'O2':1.0, 'N2':3.76})
|
| By default, the mass or mole fractions will be normalized i.e negative values
| are truncated and the mass or mole fractions sum up to 1.0. If this
| is not desired, the ``normalize`` argument can be set to ``False``.
|
| atomic_weight = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Atomic weight [kg/kmol] of element ``m``
|
| collect_data(self, cols=None, tabular=False, threshold=0, species=None)
| Returns the data specified by ``cols`` in a dictionary, where keys correspond
| to `SolutionArray` attributes to be exported.
|
| :param cols: A list of any properties of the solution that are scalars
| or which have a value for each species or reaction. If species names
| are specified, then either the mass or mole fraction of that species
| will be taken, depending on the value of ``species``. ``cols`` may also
| include any arrays which were specified as ``extra`` variables when
| defining the `SolutionArray` object. The special value 'extra' can
| be used to include all 'extra' variables.
| :param tabular: Split 2D data into separate 1D columns for each
| species / reaction
| :param threshold: Relative tolerance for including a particular column
| if tabular output is enabled. The tolerance is applied by comparing
| the maximum absolute value for a particular column to the maximum
| absolute value in all columns for the same variable (for example, mass
| fraction).
| :param species: Specifies whether to use mass ('Y') or mole ('X')
| fractions for individual species specified in 'cols'
|
| element_index = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Name of the element with index ``m``.
|
| elemental_mass_fraction = wrapper(self, *args, **kwargs) from _make_functions.<locals>.caller.<locals>
|
| elemental_mole_fraction = wrapper(self, *args, **kwargs) from _make_functions.<locals>.caller.<locals>
|
| equilibrate(self, *args, **kwargs)
| See `ThermoPhase.equilibrate`
|
| from_pandas(self, df, normalize=True)
| Restores `SolutionArray` data from a `pandas.DataFrame` ``df``.
|
| This method is intended for loading of data that were previously
| exported by `to_pandas`. The method requires a working *pandas*
| installation. The package ``pandas`` can be installed using pip or conda.
|
| The ``normalize`` argument is passed on to `restore_data` to normalize
| mole or mass fractions. By default, ``normalize`` is ``True``.
|
| kinetics_species_index = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| modify_reaction = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| n_atoms = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| product_stoich_coeff = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| read_csv(self, filename, normalize=True)
| Read a CSV file named ``filename`` and restore data to the `SolutionArray`
| using `restore_data`. This method allows for recreation of data
| previously exported by `write_csv`.
|
| The ``normalize`` argument is passed on to `restore_data` to normalize
| mole or mass fractions. By default, ``normalize`` is ``True``.
|
| restore(self, fname, name=None, sub=None)
| Restore `SolutionArray` data and header information from a container file.
|
| This method retrieves data from a YAML or HDF files that were previously saved
| using the `save` method.
|
| :param fname:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and a subgroup holding actual `SolutionArray` data
| :param sub:
| Name identifier for the subgroup holding the `SolutionArray` data and
| metadata objects. If `None`, the subgroup name defaults to ``data``
| :return:
| Dictionary holding `SolutionArray` meta data.
|
| .. versionadded:: 3.0
|
| restore_data(self, data, normalize=True)
| Restores a `SolutionArray` based on ``data`` specified in an ordered
| dictionary. Thus, this method allows to restore data exported by
| `collect_data`.
|
| :param data: Dictionary holding data to be restored, where keys
| refer to thermodynamic states (for example, ``T``, ``density``) or extra
| entries, and values contain corresponding data.
| :param normalize: If True, mole or mass fractions are normalized
| so that they sum up to 1.0. If False, mole or mass fractions
| are not normalized.
|
| The receiving `SolutionArray` either has to be empty or should have
| matching dimensions. Essential state properties and extra entries
| are detected automatically whereas stored information of calculated
| properties is omitted. If the receiving `SolutionArray` has extra
| entries already specified, only those will be imported; if *labels*
| does not contain those entries, an error is raised.
|
| save(self, fname, name=None, sub=None, description=None, *, overwrite=False, compression=0, basis=None)
| Save current `SolutionArray` contents to a data file.
|
| Data can be saved either in CSV format (extension ``*.csv``), YAML container
| format (extension ``*.yaml``/``*.yml``) or HDF container format (extension
| ``*.h5``/``*.hdf5``/``*.hdf``). The output format is automatically inferred from
| the file extension.
|
| CSV files preserve state data and auxiliary data for a single `SolutionArray` in
| a comma-separated text format, container files may hold multiple `SolutionArray`
| entries in an internal hierarchical structure. While YAML is a human-readable
| text format, HDF is a binary format that supports compression and is recommended
| for large datasets.
|
| For container files (YAML and HDF), header information contains automatically
| generated time stamps, version information and an optional description.
| Container files also preserve `SolutionArray` metadata (example:
| `SolutionArray` objects generated by `Sim1D` store simulation settings).
|
| :param fname:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and a subgroup holding actual `SolutionArray`
| data (YAML/HDF only).
| :param sub:
| Name identifier for the subgroup holding the `SolutionArray` data and
| metadata objects. If `None`, the subgroup name defaults to ``data``
| (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file/name exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| .. versionadded:: 3.0
|
| set_equivalence_ratio(self, phi, *args, **kwargs)
| See `ThermoPhase.set_equivalence_ratio`
|
| Note that ``phi`` either needs to be a scalar value or dimensions have
| to be matched to the `SolutionArray`.
|
| set_mixture_fraction(self, mixture_fraction, *args, **kwargs)
| See `ThermoPhase.set_mixture_fraction`
|
| Note that ``mixture_fraction`` either needs to be a scalar value or
| dimensions have to be matched to the `SolutionArray`.
|
| set_multiplier = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| sort(self, col, reverse=False)
| Sort SolutionArray by column ``col``.
|
| :param col: Column that is used to sort the SolutionArray.
| :param reverse: If True, the sorted list is reversed (descending order).
|
| species = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name = f(self, *args, **kwargs) from _make_functions.<locals>.passthrough_method.<locals>
| Name of the species with index ``k``.
|
| to_pandas(self, cols=None, *args, **kwargs)
| Returns the data specified by ``cols`` in a single `pandas.DataFrame`.
|
| Additional arguments are passed on to `collect_data`. This method works
| only with 1D `SolutionArray` objects and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this method.
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Q
| Get/Set vapor fraction (quality). Can be set only when in the two-phase
| region.
|
| T
| Temperature [K].
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| coverages
| Get/Set the fraction of sites covered by each species.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| ndim
| The number of dimensions in the SolutionArray.
|
| .. versionadded:: 3.0
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| viscosity
| Viscosity [Pa-s].
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPQ
| Get the density [kg/m³], pressure [Pa], and vapor fraction.
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPQ
| Get the enthalpy [J/kg or J/kmol], pressure [Pa] and vapor fraction.
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| PQ
| Get/Set the pressure [Pa] and vapor fraction of a two-phase state.
|
| PV
| Get/Set the pressure [Pa] and specific volume [m³/kg] of a PureFluid.
|
| SH
| Get/Set the specific entropy [J/kg/K] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPQ
| Get the entropy [J/kg/K or J/kmol/K], pressure [Pa], and vapor fraction.
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| ST
| Get/Set the entropy [J/kg/K] and temperature [K] of a PureFluid.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVQ
| Get the entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or
| m³/kmol], and vapor fraction.
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDQ
| Get the temperature [K], density [kg/m³ or kmol/m³], and vapor fraction.
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TH
| Get/Set the temperature [K] and the specific enthalpy [J/kg]
| of a PureFluid.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPQ
| Get/Set the temperature [K], pressure [Pa], and vapor fraction of a
| PureFluid.
|
| An Exception is raised if the thermodynamic state is not consistent.
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| TQ
| Get/Set the temperature [K] and vapor fraction of a two-phase state.
|
| TV
| Get/Set the temperature [K] and specific volume [m³/kg] of a PureFluid.
|
| UP
| Get/Set the specific internal energy [J/kg] and the
| pressure [Pa] of a PureFluid.
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVQ
| Get the internal energy [J/kg or J/kmol], specific volume
| [m³/kg or m³/kmol], and vapor fraction.
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| VH
| Get/Set the specific volume [m³/kg] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| __dict__
| dictionary for instance variables
|
| __weakref__
| list of weak references to the object
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| charges
| Array of species charges [elem. charge].
|
| element_names
| A list of all the element names.
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_elements
| Number of elements.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_species
| Number of species.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reference_pressure
| Reference state pressure [Pa].
|
| shape
| The shape of the SolutionArray.
|
| .. versionadded:: 3.0
|
| :return: A tuple of integers with the number of elements in each dimension.
|
| site_density
| Get/Set the site density. [kmol/m²] for surface phases; [kmol/m] for
| edge phases.
|
| source
| The source of this object (such as a file name).
|
| species_names
| A list of all the species names.
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase.SolutionArrayBase:
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| get_auxiliary(self, loc)
| Retrieve auxiliary data for a `SolutionArrayBase` location
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `SolutionArray`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionchanged:: 3.2
|
| Added ``display`` parameter.
|
| resize(self, size)
| Resize `SolutionArrayBase` to given size
|
| set_auxiliary(self, loc, data)
| Set auxiliary data for a `SolutionArrayBase` location
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera.solutionbase.SolutionArrayBase:
|
| __new__(*args, **kwargs) class method of cantera.solutionbase.SolutionArrayBase
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase.SolutionArrayBase:
|
| component_names
| Retrieve ordered list of all `SolutionArrayBase` components (defining
| thermodynamic state or auxiliary `extra` information)
|
| extra
| Retrieve ordered list of auxiliary `SolutionArrayBase` components
|
| meta
| Dictionary holding information describing the `SolutionArrayBase`.
|
| size
| The number of elements in the `SolutionArrayBase`.
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\composite.py
cantera.constants
Python Library Documentation: module cantera.constants in cantera
NAME
cantera.constants
DATA
__test__ = {}
avogadro = 6.02214076e+26
boltzmann = 1.380649e-23
electron_charge = 1.602176634e-19
electron_mass = 9.1093837015e-31
epsilon_0 = 8.854187812773345e-12
faraday = 96485332.12331001
gas_constant = 8314.46261815324
light_speed = 299792458.0
one_atm = 101325.0
permeability_0 = 1.2566370621238376e-06
planck = 6.62607015e-34
stefan_boltzmann = 5.6703744191844314e-08
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.data
Python Library Documentation: module cantera.data in cantera
NAME
cantera.data
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
FUNCTIONS
list_data_files(ext: str = '.yaml') -> list[str]
Lists input data files. Includes files in subdirectories, except for subdirectories
of the current working directory.
:param ext:
Extension of files to be displayed.
:return:
List of input data files.
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\data.py
cantera.debug_mode_enabled
Python Library Documentation: cython_function_or_method in module cantera._utils debug_mode_enabled()
cantera.delegator
Python Library Documentation: module cantera.delegator in cantera
NAME
cantera.delegator
FUNCTIONS
extension(*, name, data=None)
A decorator for declaring Cantera extensions that should be registered with
the corresponding factory classes to create objects with the specified *name*.
This decorator can be used in combination with an ``extensions`` section in a YAML
input file to trigger registration of extensions marked with this decorator,
For example, consider an input file containing top level ``extensions`` and
``reactions`` sections such as:
.. code:: yaml
extensions:
- type: python
name: my_cool_module
... # phases and species sections
reactions:
- equation: O + H2 <=> H + OH # Reaction 3
type: cool-rate
A: 3.87e+04
b: 2.7
Ea: 6260.0
and a Python module ``my_cool_module.py``::
import cantera as ct
class CoolRateData(ct.ExtensibleRateData):
def update(self, soln):
...
@ct.extension(name="cool-rate", data=CoolRateData)
class CoolRate(ct.ExtensibleRate):
def set_parameters(self, params, units):
...
def eval(self, data):
...
Loading this input file from any Cantera user interface would cause Cantera to load
the ``my_cool_module.py`` module and register the ``CoolRate`` and ``CoolRateData``
classes to handle reactions whose ``type`` in the YAML file is set to ``cool-rate``.
.. versionadded:: 3.0
DATA
__pyx_capi__ = {'assign_delegates': <capsule object "int (PyObject *, ...
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.draw_flow_controllers
Python Library Documentation: function draw_flow_controllers in module cantera.drawnetwork
draw_flow_controllers(flow_controllers, graph=None, graph_attr=None, node_attr=None, edge_attr=None)
See `.FlowDevice.draw`.
:param flow_controllers:
Iterable of subtypes of `~cantera.FlowDevice`.
.. versionadded:: 3.1
cantera.draw_reactor
Python Library Documentation: function draw_reactor in module cantera.drawnetwork
draw_reactor(r, graph=None, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
See `.ReactorBase.draw`.
.. versionadded:: 3.1
cantera.draw_reactor_net
Python Library Documentation: function draw_reactor_net in module cantera.drawnetwork
draw_reactor_net(n, graph_attr=None, node_attr=None, edge_attr=None, heat_flow_attr=None, mass_flow_attr=None, moving_wall_edge_attr=None, surface_edge_attr=None, show_wall_velocity=True, print_state=False, species=None, species_units='percent')
See `.ReactorNet.draw`.
.. versionadded:: 3.1
cantera.draw_surface
Python Library Documentation: function draw_surface in module cantera.drawnetwork
draw_surface(surface, graph=None, graph_attr=None, node_attr=None, surface_edge_attr=None, print_state=False, species=None, species_units='percent')
See `.ReactorSurface.draw`.
.. versionadded:: 3.1
cantera.draw_walls
Python Library Documentation: function draw_walls in module cantera.drawnetwork
draw_walls(walls, graph=None, graph_attr=None, node_attr=None, edge_attr=None, moving_wall_edge_attr=None, show_wall_velocity=True)
See `.Wall.draw`.
:param walls:
Iterable of subtypes of `~cantera.Wall` that connect reactors and reservoirs.
.. versionadded:: 3.1
cantera.drawnetwork
Python Library Documentation: module cantera.drawnetwork in cantera
NAME
cantera.drawnetwork
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
FUNCTIONS
draw_flow_controllers(flow_controllers, graph=None, graph_attr=None, node_attr=None, edge_attr=None)
See `.FlowDevice.draw`.
:param flow_controllers:
Iterable of subtypes of `~cantera.FlowDevice`.
.. versionadded:: 3.1
draw_reactor(r, graph=None, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
See `.ReactorBase.draw`.
.. versionadded:: 3.1
draw_reactor_net(n, graph_attr=None, node_attr=None, edge_attr=None, heat_flow_attr=None, mass_flow_attr=None, moving_wall_edge_attr=None, surface_edge_attr=None, show_wall_velocity=True, print_state=False, species=None, species_units='percent')
See `.ReactorNet.draw`.
.. versionadded:: 3.1
draw_surface(surface, graph=None, graph_attr=None, node_attr=None, surface_edge_attr=None, print_state=False, species=None, species_units='percent')
See `.ReactorSurface.draw`.
.. versionadded:: 3.1
draw_walls(walls, graph=None, graph_attr=None, node_attr=None, edge_attr=None, moving_wall_edge_attr=None, show_wall_velocity=True)
See `.Wall.draw`.
:param walls:
Iterable of subtypes of `~cantera.Wall` that connect reactors and reservoirs.
.. versionadded:: 3.1
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\drawnetwork.py
cantera.electron_charge
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.electron_mass
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.epsilon_0
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.extension
Python Library Documentation: cython_function_or_method in module cantera.delegator
extension(*, name, data=None)
A decorator for declaring Cantera extensions that should be registered with
the corresponding factory classes to create objects with the specified *name*.
This decorator can be used in combination with an ``extensions`` section in a YAML
input file to trigger registration of extensions marked with this decorator,
For example, consider an input file containing top level ``extensions`` and
``reactions`` sections such as:
.. code:: yaml
extensions:
- type: python
name: my_cool_module
... # phases and species sections
reactions:
- equation: O + H2 <=> H + OH # Reaction 3
type: cool-rate
A: 3.87e+04
b: 2.7
Ea: 6260.0
and a Python module ``my_cool_module.py``::
import cantera as ct
class CoolRateData(ct.ExtensibleRateData):
def update(self, soln):
...
@ct.extension(name="cool-rate", data=CoolRateData)
class CoolRate(ct.ExtensibleRate):
def set_parameters(self, params, units):
...
def eval(self, data):
...
Loading this input file from any Cantera user interface would cause Cantera to load
the ``my_cool_module.py`` module and register the ``CoolRate`` and ``CoolRateData``
classes to handle reactions whose ``type`` in the YAML file is set to ``cool-rate``.
.. versionadded:: 3.0
cantera.faraday
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.func1
Python Library Documentation: module cantera.func1 in cantera
NAME
cantera.func1
CLASSES
builtins.object
Func1
Tabulated1
class Func1(builtins.object)
| This class is used as a wrapper for a function of one variable,
| :math:`y = f(t)`, that is defined in Python and can be called by the
| Cantera C++ core. `Func1` objects are constructed from callable Python
| objects, for example functions or classes which implement the `__call__` method::
|
| >>> f1 = Func1(math.sin)
| >>> f1(math.pi/4)
| 0.7071067811865475
|
| >>> f2 = Func1(lambda t: t**2 + 1)
| >>> f2(3)
| 10
|
| >>> class Multiplier:
| ... def __init__(self, factor):
| ... self.factor = factor
| ... def __call__(self, t):
| ... return self.factor * t
| >>> f3 = Func1(Multiplier(5))
| >>> f3(6)
| 30.0
|
| For simplicity, constant functions can be defined by passing a constant
| value directly::
|
| >>> f4 = Func1(2.5)
| >>> f4(0.1)
| 2.5
|
| Note that all methods which accept `Func1` objects will also accept the
| callable object and create the wrapper on their own, so it is often not
| necessary to explicitly create a `Func1` object.
|
| Note that `Func1` objects also allow for direct access to functor objects
| implemented in C++ based on associated type specifiers::
|
| >>> f5 = Func1("exp", 3.) # C++ 'Exp1' functor
| >>> f5.cxx_type
| 'Cantera::Exp1'
| >>> f5.write()
| '\exp(3x)'
| >>> f5(2.)
| 403.4287934927351
| >>> f6 = Func1("Arrhenius", [9630.0, 2.0, 2012.878]) # C++ 'Arrhenius1' functor
| >>> f6(1500)
| 5662665826.195515
|
| For implemented C++ functor types, see the Cantera C++ :ct:`Func1` documentation.
|
| `Func1` objects support operator overloading which facilitates the construction of
| compound functions, where some standard simplifications are implemented::
|
| >>> f7 = 2 * f5 + 3
| >>> f7.write()
| '2\exp(3x) + 3'
| >>> f7(2.)
| 809.8575869854702
| >>> f8 = f5 * f5
| >>> f8.write()
| '\exp(6x)'
| >>> f8(2.)
| 162754.79141900392
|
| .. versionchanged:: 3.1
|
| Implementations for operator overloading and direct support for C++ functor
| construction are added.
|
| Methods defined here:
|
| __add__(...)
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __copy__(self)
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __mul__(...)
|
| __radd__(...)
|
| __reduce__(self)
|
| __rmul__(...)
|
| __rsub__(...)
|
| __rtruediv__(...)
|
| __sub__(...)
|
| __truediv__(...)
|
| write(self, name='x')
| Write a :math:`LaTeX` expression representing a functor.
|
| :param name:
| Name of the variable to be used.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| cxx_type
| Return the type of the underlying C++ functor object.
|
| .. versionadded:: 3.1
|
| type
| Return the type of the underlying C++ functor object.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class Tabulated1(Func1)
| A `Tabulated1` object representing a tabulated function is defined by
| sample points and corresponding function values. Inputs are specified by
| two iterable objects containing sample point location and function values.
| Between sample points, values are evaluated based on the optional argument
| ``method``; options are ``'linear'`` (linear interpolation, default) or
| ``'previous'`` (nearest previous value). Outside the sample interval, the
| value at the closest end point is returned.
|
| Examples for `Tabulated1` objects are::
|
| >>> t1 = Tabulated1([0, 1, 2], [2, 1, 0])
| >>> [t1(v) for v in [-0.5, 0, 0.5, 1.5, 2, 2.5]]
| [2.0, 2.0, 1.5, 0.5, 0.0, 0.0]
|
| >>> t2 = Tabulated1(np.array([0, 1, 2]), np.array([2, 1, 0]))
| >>> [t2(v) for v in [-0.5, 0, 0.5, 1.5, 2, 2.5]]
| [2.0, 2.0, 1.5, 0.5, 0.0, 0.0]
|
| The optional ``method`` keyword argument changes the type of interpolation
| from the ``'linear'`` default to ``'previous'``::
|
| >>> t3 = Tabulated1([0, 1, 2], [2, 1, 0], method='previous')
| >>> [t3(v) for v in [-0.5, 0, 0.5, 1.5, 2, 2.5]]
| [2.0, 2.0, 2.0, 1.0, 0.0, 0.0]
|
| .. versionadded:: 3.0
|
| Method resolution order:
| Tabulated1
| Func1
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from Func1:
|
| __add__(...)
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __copy__(self)
|
| __mul__(...)
|
| __radd__(...)
|
| __reduce__(self)
|
| __rmul__(...)
|
| __rsub__(...)
|
| __rtruediv__(...)
|
| __sub__(...)
|
| __truediv__(...)
|
| write(self, name='x')
| Write a :math:`LaTeX` expression representing a functor.
|
| :param name:
| Name of the variable to be used.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Func1:
|
| cxx_type
| Return the type of the underlying C++ functor object.
|
| .. versionadded:: 3.1
|
| type
| Return the type of the underlying C++ functor object.
|
| .. versionadded:: 3.0
DATA
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.gas_constant
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.get_data_directories
Python Library Documentation: cython_function_or_method in module cantera._utils
get_data_directories()
Get a list of the directories Cantera searches for data files.
cantera.hdf_support
Python Library Documentation: cython_function_or_method in module cantera._utils
hdf_support()
Returns list of libraries that include HDF support:
- 'native': if Cantera was compiled with C++ HighFive HDF5 support.
.. versionadded:: 3.0
cantera.import_phases
Python Library Documentation: function import_phases in module cantera.utils
import_phases(filename: pathlib.Path | str, phase_names: collections.abc.Iterable[str]) -> list[cantera.composite.Solution]
Import multiple phases from one file. The phase names should be
entered as a list of strings.
.. deprecated:: 3.2
To be removed after Cantera 3.2.
cantera.interrupts
Python Library Documentation: module cantera.interrupts in cantera
NAME
cantera.interrupts
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
FUNCTIONS
no_op(t: float) -> float
This function does nothing. It is used as an interrupt in the 1D solver
C++ loop where a pure Python function is needed in order for
KeyboardInterrupt events to be captured.
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\interrupts.py
cantera.jacobians
Python Library Documentation: module cantera.jacobians in cantera
NAME
cantera.jacobians
CLASSES
builtins.object
SystemJacobian
BandedJacobian
EigenSparseJacobian
AdaptivePreconditioner
EigenSparseDirectJacobian
class AdaptivePreconditioner(EigenSparseJacobian)
| Method resolution order:
| AdaptivePreconditioner
| EigenSparseJacobian
| SystemJacobian
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| ilut_drop_tol
| Property setting the linear solvers drop tolerance.
|
| During factorization any element below the product of the drop tolerance and
| average magnitude is dropped.
|
| Update the ILUT drop tolerance to a desired value as:
| >>> precon.ilut_drop_tol = 1e-10
|
| Default is 1e-10.
|
| ilut_fill_factor
| Property setting the linear solvers fill factor.
|
| During factorization, after row elimination, only some of the largest elements
| in the L and U in addition to the diagonal element are kept. The number of
| elements kept is computed from the fill factor (a ratio) relative to the initial
| number of nonzero elements.
|
| Update the ILUT fill factor to a desired value as:
| >>> precon.ilut_fill_factor = 2
|
| Default is the state size divided by 4.
|
| threshold
| The threshold of the preconditioner is used to remove or prune any off diagonal
| elements below the given value inside of the preconditioner. In other words,
| after the preconditioner is formed by P = (I - gamma * Jac), the off diagonal
| values within P are compared with the threshold and removed if below it.
|
| The goal of thresholding is to improve matrix sparsity while still providing a
| good preconditioner for the system.
|
| Update the threshold to a desired value as:
| >>> precon.threshold = 1e-8
|
| Default is 0.0.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| linear_solver_type = 'GMRES'
|
| ----------------------------------------------------------------------
| Methods inherited from EigenSparseJacobian:
|
| print_contents(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from EigenSparseJacobian:
|
| jacobian
| Property to retrieve the latest Jacobian.
|
| matrix
| Property to retrieve the latest internal preconditioner matrix.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SystemJacobian:
|
| side
| Get/Set the side of the system matrix where the preconditioner is applied.
| Options are "none", "left", "right", or "both". Not all options are supported
| by all solver types.
class BandedJacobian(SystemJacobian)
| A system matrix solver that uses a direct banded linear solver. Wraps C++
| class :ct:`MultiJac`.
|
| Method resolution order:
| BandedJacobian
| SystemJacobian
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| linear_solver_type = 'direct'
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SystemJacobian:
|
| side
| Get/Set the side of the system matrix where the preconditioner is applied.
| Options are "none", "left", "right", or "both". Not all options are supported
| by all solver types.
class EigenSparseDirectJacobian(EigenSparseJacobian)
| A system matrix solver that uses Eigen's sparse direct (LU) algorithm. Wraps C++
| class :ct:`EigenSparseDirectJacobian`.
|
| Method resolution order:
| EigenSparseDirectJacobian
| EigenSparseJacobian
| SystemJacobian
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from EigenSparseJacobian:
|
| print_contents(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from EigenSparseJacobian:
|
| jacobian
| Property to retrieve the latest Jacobian.
|
| matrix
| Property to retrieve the latest internal preconditioner matrix.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SystemJacobian:
|
| side
| Get/Set the side of the system matrix where the preconditioner is applied.
| Options are "none", "left", "right", or "both". Not all options are supported
| by all solver types.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from SystemJacobian:
|
| linear_solver_type = 'GMRES'
class EigenSparseJacobian(SystemJacobian)
| Base class for system Jacobians that use Eigen sparse matrices for storage.
| Wraps C++ class :ct:`EigenSparseJacobian`.
|
| Method resolution order:
| EigenSparseJacobian
| SystemJacobian
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| print_contents(self)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| jacobian
| Property to retrieve the latest Jacobian.
|
| matrix
| Property to retrieve the latest internal preconditioner matrix.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SystemJacobian:
|
| side
| Get/Set the side of the system matrix where the preconditioner is applied.
| Options are "none", "left", "right", or "both". Not all options are supported
| by all solver types.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from SystemJacobian:
|
| linear_solver_type = 'GMRES'
class SystemJacobian(builtins.object)
| Common base class for Jacobian matrices used in the solution of nonlinear systems.
| Wraps C++ class :ct:`SystemJacobian`.
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| side
| Get/Set the side of the system matrix where the preconditioner is applied.
| Options are "none", "left", "right", or "both". Not all options are supported
| by all solver types.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| linear_solver_type = 'GMRES'
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.kinetics
Python Library Documentation: module cantera.kinetics in cantera
NAME
cantera.kinetics
CLASSES
cantera.solutionbase._SolutionBase(builtins.object)
Kinetics
InterfaceKinetics
class InterfaceKinetics(Kinetics)
| A kinetics manager for heterogeneous reaction mechanisms. The
| reactions are assumed to occur at an interface between bulk phases.
|
| Method resolution order:
| InterfaceKinetics
| Kinetics
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| advance_coverages(self, dt, rtol=1e-07, atol=1e-14, max_step_size=0.0, max_steps=20000, max_error_test_failures=7)
| This method carries out a time-accurate advancement of the surface
| coverages for a specified amount of time.
|
| advance_coverages_to_steady_state(self)
| This method advances the surface coverages to steady state.
|
| get_creation_rates(self, phase)
| Creation rates for each species in phase ``phase``. Use the
| `creation_rates` property to get the creation rates for species in all
| phases.
|
| get_destruction_rates(self, phase)
| Destruction rates for each species in phase ``phase``. Use the
| `destruction_rates` property to get the destruction rates for species
| in all phases.
|
| get_net_production_rates(self, phase)
| Net production rates for each species in phase ``phase``. Use the
| `net_production_rates` property to get the net production rates for
| species in all phases.
|
| interface_current(self, phase)
| The interface current is useful when charge transfer reactions occur at
| an interface. It is defined here as the net positive charge entering the
| phase ``phase`` (Units: A/m² for a surface, A/m for an edge reaction).
|
| phase_index(self, phase)
| Get the index of the phase ``phase``, where ``phase`` may specified using
| the phase object, the name, or the index itself.
|
| write_yaml(self, filename, phases=None, units=None, precision=None, skip_user_defined=None)
| See `_SolutionBase.write_yaml <cantera._cantera._SolutionBase.write_yaml>`.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from Kinetics:
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Kinetics:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
class Kinetics(cantera.solutionbase._SolutionBase)
| Instances of class `Kinetics` are responsible for evaluating reaction rates
| of progress, species production rates, and other quantities pertaining to
| a reaction mechanism.
|
| Method resolution order:
| Kinetics
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| add_reaction(self, rxn)
| Add a new reaction to this phase.
|
| kinetics_species_index(self, species, phase=0)
| The index of species ``species`` of phase ``phase`` within arrays returned
| by methods of class `Kinetics`. If ``species`` is a string, the ``phase``
| argument is unused.
|
| kinetics_species_name(self, k)
| Name of the species with index ``k`` in the arrays returned by methods
| of class `Kinetics`.
|
| modify_reaction(self, irxn, rxn)
| Modify the `Reaction` with index ``irxn`` to have the same rate parameters as
| ``rxn``. ``rxn`` must have the same reactants and products and use the same rate
| parameterization (for example, `ArrheniusRate`, `FalloffRate`, `PlogRate`, etc.)
| as the existing reaction. This method does not modify the third-body
| efficiencies, reaction orders, or reversibility of the reaction.
|
| multiplier(self, i_reaction)
| A scaling factor applied to the rate coefficient for reaction
| ``i_reaction``. Can be used to carry out sensitivity analysis or to
| selectively disable a particular reaction. See `set_multiplier`.
|
| product_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a product in
| reaction ``i_reaction``.
|
| reactant_stoich_coeff(self, k_spec, i_reaction)
| The stoichiometric coefficient of species ``k_spec`` as a reactant in
| reaction ``i_reaction``.
|
| reaction(self, i_reaction)
| Return a `Reaction` object representing the reaction with index
| ``i_reaction``. Changes to this object do not affect the `Kinetics` or
| `Solution` object until the `modify_reaction` function is called.
|
| reaction_equations(self, indices=None)
| Returns a list containing the reaction equation for all reactions in the
| mechanism if ``indices`` is unspecified, or the equations for each
| reaction in the sequence ``indices``. For example::
|
| >>> gas.reaction_equations()
| ['2 O + M <=> O2 + M', 'O + H + M <=> OH + M', 'O + H2 <=> H + OH', ...]
| >>> gas.reaction_equations([2,3])
| ['O + H + M <=> OH + M', 'O + H2 <=> H + OH']
|
| See also `reaction_equation`.
|
| reactions(self)
| Return a list of all `Reaction` objects. Changes to these objects do not
| affect the `Kinetics` or `Solution` object until the `modify_reaction`
| function is called.
|
| set_multiplier(self, value, i_reaction=-1)
| Set the multiplier for for reaction ``i_reaction`` to ``value``.
| If ``i_reaction`` is not specified, then the multiplier for all reactions
| is set to ``value``. See `multiplier`.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| creation_rates_ddCi
| Calculate derivatives for species creation rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species`
| columns.
|
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| creation_rates_ddX
| Calculate derivatives for species creation rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| derivative_settings
| Property setting behavior of derivative evaluation.
|
| For :ct:`BulkKinetics`, the following keyword/value pairs are supported:
|
| - ``skip-third-bodies`` (boolean) ... if `False` (default), third body
| concentrations are considered for the evaluation of derivatives
|
| - ``skip-falloff`` (boolean) ... if `True` (default), third-body effects
| on reaction rates are not considered.
|
| - ``rtol-delta`` (double) ... relative tolerance used to perturb properties
| when calculating numerical derivatives. The default value is 1e-8.
|
| Derivative settings are updated using a dictionary::
|
| >>> gas.derivative_settings = {"skip-falloff": True}
|
| Passing an empty dictionary will reset all values to their defaults.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| destruction_rates_ddCi
| Calculate derivatives for species destruction rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| destruction_rates_ddX
| Calculate derivatives for species destruction rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| forward_rates_of_progress_ddCi
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| forward_rates_of_progress_ddX
| Calculate derivatives for forward rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| kinetics_model
| Return type of kinetics.
|
| kinetics_species_names
| A list of all species names, corresponding to the arrays returned by
| methods of class `Kinetics`.
|
| n_phases
| Number of phases in the reaction mechanism.
|
| n_reactions
| Number of reactions in the reaction mechanism.
|
| n_total_species
| Total number of species in all phases participating in the kinetics
| mechanism.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_production_rates_ddCi
| Calculate derivatives for species net production rates with respect to species
| concentration at constant temperature, pressure, and concentration of all other
| species. For sparse output, set ``ct.use_sparse(True)``.
|
| The method returns a matrix with `n_total_species` rows and `n_total_species` columns.
| For a derivative with respect to :math:`c_i`, all other :math:`c_i` are
| held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| net_production_rates_ddX
| Calculate derivatives for species net production rates with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| net_rates_of_progress_ddCi
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations. For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| net_rates_of_progress_ddX
| Calculate derivatives for net rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| product_stoich_coeffs
| The array of product stoichiometric coefficients. Element ``[k,i]`` of
| this array is the product stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| product_stoich_coeffs_reversible
| The array of product stoichiometric coefficients of reversible reactions.
| Element ``[k,i]`` of this array is the product stoichiometric coefficient
| of species ``k`` in reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| reactant_stoich_coeffs
| The array of reactant stoichiometric coefficients. Element ``[k,i]`` of
| this array is the reactant stoichiometric coefficient of species ``k`` in
| reaction ``i``.
|
| For sparse output, set ``ct.use_sparse(True)``.
|
| .. versionchanged:: 3.0
|
| Method was changed to a property in Cantera 3.0.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| reverse_rates_of_progress_ddCi
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and remaining species
| concentrations.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`c_i`, all other :math:`c_j`
| are held constant.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| reverse_rates_of_progress_ddX
| Calculate derivatives for reverse rates-of-progress with respect to species
| concentrations at constant temperature, pressure and molar concentration.
| For sparse output, set ``ct.use_sparse(True)``.
|
| Note that for derivatives with respect to :math:`X_i`, all other :math:`X_j`
| are held constant, rather than enforcing :math:`\sum X_j = 1`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__pyx_capi__ = {'get_from_sparse': <capsule object "PyObject *(Eigen::...
__test__ = {'Kinetics.reaction_equations (line 211)': '\n Retur...
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.light_speed
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.liquidvapor
Python Library Documentation: module cantera.liquidvapor in cantera
NAME
cantera.liquidvapor
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
FUNCTIONS
CarbonDioxide() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for carbon dioxide.
The object returned by this method implements an accurate equation of
state for carbon dioxide that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances.* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::CarbonDioxide` in
the Cantera C++ source code documentation.
Heptane() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for heptane.
The object returned by this method implements an accurate equation of
state for n-heptane that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances.* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::Heptane` in the
Cantera C++ source code documentation.
Hfc134a() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for HFC-134a.
The object returned by this method implements an accurate equation of
state for refrigerant HFC134a (R134a) that can be used in the liquid,
vapor, saturated liquid/vapor, and supercritical regions of the phase
diagram. Implements the equation of state given in:
R. Tillner-Roth, H. D. Baehr. *An International Standard Formulation for
The Thermodynamic Properties of 1,1,1,2-Tetrafluoroethane (HFC-134a) for
Temperatures From 170 K to 455 K and Pressures up to 70 MPa.* J. Phys.
Chem. Ref. Data, Vol. 23, No. 5, 1994. pp. 657--729.
http://dx.doi.org/10.1063/1.555958
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::HFC134a` in the
Cantera C++ source code documentation.
Hydrogen() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for hydrogen.
The object returned by this method implements an accurate equation of
state for hydrogen that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::hydrogen` in the
Cantera C++ source code documentation.
Methane() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for methane.
The object returned by this method implements an accurate equation of
state for methane that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::methane` in the
Cantera C++ source code documentation.
Nitrogen() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for nitrogen.
The object returned by this method implements an accurate equation of
state for nitrogen that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::nitrogen` in the
Cantera C++ source code documentation.
Oxygen() -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for oxygen.
The object returned by this method implements an accurate equation of
state for oxygen that can be used in the liquid, vapor, saturated
liquid/vapor, and supercritical regions of the phase diagram. The
equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances* Stanford: Stanford
University, 1979. Print.
For more details, see classes :ct:`PureFluidPhase` and :ct:`tpx::oxygen` in the
Cantera C++ source code documentation.
Water(backend: Literal['Reynolds', 'IAPWS95'] = 'Reynolds') -> cantera.thermo.PureFluid
Create a `PureFluid` object using the equation of state for water and the
`WaterTransport` class for viscosity and thermal conductivity.
The object returned by this method implements an accurate equation of state
for water, where implementations are selected using the ``backend`` switch.
For the ``Reynolds`` backend, the equation of state is taken from
W. C. Reynolds, *Thermodynamic Properties in SI: graphs, tables, and
computational equations for forty substances.* Stanford: Stanford
University, 1979. Print.
which can be used in the liquid, vapor, saturated liquid/vapor, and
supercritical regions of the phase diagram.
The ``IAPWS95`` backend implements an IAPWS (International Association for
the Properties of Water and Steam) formulation for thermodynamic properties
taken from
W. Wagner, A. Pruss, *The IAPWS Formulation 1995 for the Thermodynamic
Properties of Ordinary Water Substance for General and Scientific Use,*
J. Phys. Chem. Ref. Dat, 31, 387, 2002.
which currently only implements liquid and supercritical regions.
In both cases, formulas for transport are taken from
J. V. Sengers, J. T. R. Watson, *Improved International Formulations for
the Viscosity and Thermal Conductivity of Water Substance,* J. Phys.
Chem. Ref. Data, 15, 1291, 1986.
For more details, see classes :ct:`PureFluidPhase`, :ct:`tpx::water`,
:ct:`WaterSSTP` and :ct:`WaterTransport` in the Cantera C++ source
code documentation.
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\liquidvapor.py
cantera.list_data_files
Python Library Documentation: function list_data_files in module cantera.data
list_data_files(ext: str = '.yaml') -> list[str]
Lists input data files. Includes files in subdirectories, except for subdirectories
of the current working directory.
:param ext:
Extension of files to be displayed.
:return:
List of input data files.
cantera.make_deprecation_warnings_fatal
Python Library Documentation: cython_function_or_method in module cantera._utils make_deprecation_warnings_fatal()
cantera.mixture
Python Library Documentation: module cantera.mixture in cantera
NAME
cantera.mixture
CLASSES
builtins.object
Mixture
class Mixture(builtins.object)
| Class Mixture represents mixtures of one or more phases of matter. To
| construct a mixture, supply a list of phases to the constructor, each
| paired with the number of moles for that phase::
|
| >>> gas = cantera.Solution("gas.yaml")
| >>> gas.species_names
| ['H2', 'H', 'O2', 'O', 'OH']
| >>> graphite = cantera.Solution("graphite.yaml")
| >>> graphite.species_names
| ['C(g)']
| >>> mix = cantera.Mixture([(gas, 1.0), (graphite, 0.1)])
| >>> mix.species_names
| ['H2', 'H', 'O2', 'O', 'OH', 'C(g)']
|
| Note that the objects representing each phase compute only the intensive
| state of the phase -- they do not store any information on the amount of
| this phase. Mixture objects, on the other hand, represent the full
| extensive state.
|
| .. caution::
| The Mixture class exists mainly for the purpose of providing input for multiphase
| equilibrium calculations. Its functionality for modifying the state of the
| mixture and computing properties is quite limited. Mixture objects cannot be used
| in conjunction with reactor networks.
|
| Furthermore, the multiphase equilibrium solvers currently have a number of
| problems that lead to solver failures or incorrect results for some inputs. See
| the `list of issues on GitHub <https://github.com/Cantera/cantera/issues?q=is%3Aopen+is%3Aissue+label%3AEquilibrium>`_
| for more information.
|
| Mixture objects are 'lightweight' in the sense that they do not store
| parameters needed to compute thermodynamic or kinetic properties of the
| phases. These are contained in the ('heavyweight') phase objects. Multiple
| mixture objects may be constructed using the same set of phase objects.
| Each one stores its own state information locally, and synchronizes the
| phases objects whenever it requires phase properties.
|
| Methods defined here:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| element_index(self, element)
| Index of element with name 'element'.
|
| >>> mix.element_index('H')
| 2
|
| element_moles(self, e)
| Total number of moles of element ``e``, summed over all species.
| The element may be referenced either by index number or by name.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair ``XY``
| constant. This method uses a version of the VCS algorithm to find the
| composition that minimizes the total Gibbs free energy of the mixture,
| subject to element conservation constraints. For a description of the
| theory, see Smith and Missen, "Chemical Reaction Equilibrium."
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP', 'HP', 'SP']
| :param solver: Set to either 'auto', 'vcs', or 'gibbs' to choose
| implementation of the solver to use. 'vcs' uses the solver
| implemented in the C++ class 'VCSnonideal', 'gibbs' uses the one
| implemented in class 'MultiPhaseEquil'. 'auto' will try the 'vcs'
| solver first and then the 'gibbs' solver if that fails.
| :param rtol:
| Error tolerance. Iteration will continue until (Delta mu)/RT is
| less than this value for each reaction. Note that this default is
| very conservative, and good equilibrium solutions may be obtained
| with larger error tolerances.
| :param max_steps:
| Maximum number of steps to take while solving the equilibrium
| problem for specified *T* and *P*.
| :param max_iter:
| Maximum number of temperature and/or pressure iterations.
| This is only relevant if a property pair other than (T,P) is
| specified.
| :param estimate_equil:
| Flag indicating whether the solver should estimate its own initial
| condition. If 0, the initial mole fraction vector in the phase
| objects are used as the initial condition. If 1, the initial mole
| fraction vector is used if the element abundances are satisfied.
| if -1, the initial mole fraction vector is thrown out, and an
| estimate is formulated.
| :param log_level:
| Determines the amount of output displayed during the solution
| process. 0 indicates no output, while larger numbers produce
| successively more verbose information.
|
| n_atoms(self, k, m)
| Number of atoms of element ``m`` in the species with global index ``k``.
| The element may be referenced either by name or by index.
|
| >>> n = mix.n_atoms(3, 'H')
| 4.0
|
| phase(self, n)
| Return the ThermoPhase object for phase number ``n`` in the mixture.
|
| phase_charge(self, p)
| The charge of phase ``p`` in Coulombs.
|
| phase_index(self, p)
| Index of the phase named ``p``.
|
| phase_moles(self, p=None)
| Moles in phase ``p``, if ``p`` is specified, otherwise the number of
| moles in all phases.
|
| report(self, threshold=1e-14)
| Generate a report describing the thermodynamic state of this mixture. To
| print the report to the screen, simply call the mixture object. The
| following two statements are equivalent::
|
| >>> mix()
| >>> print(mix.report())
|
| set_phase_moles(self, p, moles)
| Set the number of moles of phase ``p`` to ``moles``.
|
| species_index(self, phase, species)
| :param phase:
| Phase object, index or name
| :param species:
| Species name or index
|
| Returns the global index of species ``species`` in phase ``phase``.
|
| species_name(self, k)
| Name of the species with index ``k``. Note that index numbers
| are assigned in order as phases are added.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| P
| Get or set the Pressure [Pa] of all phases in the mixture. When set,
| the temperature of the mixture is held fixed.
|
| T
| Get or set the Temperature [K] of all phases in the mixture. When set,
| the pressure of the mixture is held fixed.
|
| charge
| The total charge in Coulombs, summed over all phases.
|
| chemical_potentials
| The chemical potentials of all species [J/kmol].
|
| max_temp
| The maximum temperature for which all species in multi-species
| solutions have valid thermo data. Stoichiometric phases are not
| considered in determining max_temp.
|
| min_temp
| The minimum temperature for which all species in multi-species
| solutions have valid thermo data. Stoichiometric phases are not
| considered in determining min_temp.
|
| n_elements
| Total number of elements present in the mixture.
|
| n_phases
| Number of phases
|
| n_species
| Number of species.
|
| phase_names
| Names of all phases in the order added.
|
| species_moles
| Get or set the number of moles of each species. May be set either as a
| string or as an array. If an array is used, it must be dimensioned at
| least as large as the total number of species in the mixture. Note that
| the species may belong to any phase, and unspecified species are set to
| zero.
|
| >>> mix.species_moles = 'C(s):1.0, CH4:2.0, O2:0.2'
|
| species_names
| Get the names of the species from all phases in the mixture
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__test__ = {'Mixture.element_index (line 97)': "Index of element with ...
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.no_op
Python Library Documentation: function no_op in module cantera.interrupts
no_op(t: float) -> float
This function does nothing. It is used as an interrupt in the 1D solver
C++ loop where a pure Python function is needed in order for
KeyboardInterrupt events to be captured.
cantera.one_atm
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.onedim
Python Library Documentation: module cantera.onedim in cantera
NAME
cantera.onedim
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
CLASSES
cantera._onedim.Sim1D(builtins.object)
FlameBase
BurnerFlame
CounterflowDiffusionFlame
CounterflowPremixedFlame
CounterflowTwinPremixedFlame
FreeFlame
ImpingingJet
class BurnerFlame(FlameBase)
| BurnerFlame(gas, grid=None, width=None)
|
| A burner-stabilized flat flame.
|
| Method resolution order:
| BurnerFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on a fixed grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `UnstrainedFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.burner``, ``self.flame``, and ``self.outlet``.
|
| set_initial_guess(self, data=None, group=None)
| Set the initial guess for the solution. By default, the adiabatic flame
| temperature and equilibrium composition are computed for the burner
| gas composition. The temperature profile rises linearly in the first
| 20% of the flame to Tad, then is flat. The mass fraction profiles are
| set similarly. Alternatively, a previously calculated result can be
| supplied as an initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| solve(self, loglevel=1, refine_grid=True, auto=False, stage=None)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
| :param stage: solution stage; only used when transport model is ``ionized-gas``.
|
| .. deprecated:: 3.2
|
| The ``stage`` argument will be removed after Cantera 3.2. Replaced by
| setting the `electric_field_enabled` property.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| burner
|
| flame
|
| outlet
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
class CounterflowDiffusionFlame(FlameBase)
| CounterflowDiffusionFlame(gas, grid=None, width=None)
|
| A counterflow diffusion flame
|
| Method resolution order:
| CounterflowDiffusionFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on a fixed grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.fuel_inlet``, ``self.flame``, and ``self.oxidizer_inlet``.
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| mixture_fraction(self, m)
| Compute the mixture fraction based on element ``m`` or from the
| Bilger mixture fraction by setting ``m="Bilger"``
|
| The mixture fraction is computed from the elemental mass fraction of
| element ``m``, normalized by its values on the fuel and oxidizer
| inlets:
|
| .. math:: Z = \frac{Z_{\mathrm{mass},m}(z) -
| Z_{\mathrm{mass},m}(z_\mathrm{oxidizer})}
| {Z_{\mathrm{mass},m}(z_\mathrm{fuel}) -
| Z_{\mathrm{mass},m}(z_\mathrm{oxidizer})}
|
| or from the Bilger mixture fraction:
|
| .. math:: Z = \frac{\beta-\beta_{\mathrm{oxidizer}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{oxidizer}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}
| +\frac{1}{2}\frac{Z_H}{M_H}-\frac{Z_O}{M_O}
|
| :param m:
| The element based on which the mixture fraction is computed,
| may be specified by name or by index, or "Bilger" for the
| Bilger mixture fraction, which considers the elements C,
| H, S, and O
|
| >>> f.mixture_fraction('H')
| >>> f.mixture_fraction('Bilger')
|
| set_initial_guess(self, data=None, group=None)
| Set the initial guess for the solution. By default, the initial guess
| is generated by assuming infinitely-fast chemistry. Alternatively, a
| previously calculated result can be supplied as an initial guess via
| 'data' and 'key' inputs (see `FlameBase.set_initial_guess`).
|
| solve(self, loglevel=1, refine_grid=True, auto=False, stage=None)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
| :param stage: solution stage; only used when transport model is ``ionized-gas``.
|
| .. deprecated:: 3.2
|
| The ``stage`` argument will be removed after Cantera 3.2. Replaced by
| setting the `electric_field_enabled` property.
|
| strain_rate(self, definition, fuel=None, oxidizer='O2', stoich=None)
| Return the axial strain rate of the counterflow diffusion flame in 1/s.
|
| :param definition:
| The definition of the strain rate to be calculated. Options are:
| ``mean``, ``max``, ``stoichiometric``, ``potential_flow_fuel``, and
| ``potential_flow_oxidizer``.
| :param fuel: The fuel species. Used only if ``definition`` is
| ``stoichiometric``.
| :param oxidizer: The oxidizer species, default ``O2``. Used only if
| ``definition`` is ``stoichiometric``.
| :param stoich: The molar stoichiometric oxidizer-to-fuel ratio.
| Can be omitted if the oxidizer is ``O2``. Used only if ``definition``
| is ``stoichiometric``.
|
| The parameter ``definition`` sets the method to compute the strain rate.
| Possible options are:
|
| ``mean``:
| The mean axial velocity gradient in the entire domain
|
| .. math:: a_{mean} = \left| \frac{\Delta u}{\Delta z} \right|
|
| ``max``:
| The maximum axial velocity gradient
|
| .. math:: a_{max} = \max \left( \left| \frac{du}{dz} \right| \right)
|
| ``stoichiometric``:
| The axial velocity gradient at the stoichiometric surface.
|
| .. math::
|
| a_{stoichiometric} = \left| \left. \frac{du}{dz}
| \right|_{\phi=1} \right|
|
| This method uses the additional keyword arguments ``fuel``,
| ``oxidizer``, and ``stoich``.
|
| >>> f.strain_rate('stoichiometric', fuel='H2', oxidizer='O2',
| stoich=0.5)
|
| ``potential_flow_fuel``:
| The corresponding axial strain rate for a potential flow boundary
| condition at the fuel inlet.
|
| .. math:: a_{f} = \sqrt{-\frac{\Lambda}{\rho_{f}}}
|
| ``potential_flow_oxidizer``:
| The corresponding axial strain rate for a potential flow boundary
| condition at the oxidizer inlet.
|
| .. math:: a_{o} = \sqrt{-\frac{\Lambda}{\rho_{o}}}
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| equivalence_ratio
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| fuel_inlet
|
| oxidizer_inlet
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
class CounterflowPremixedFlame(FlameBase)
| CounterflowPremixedFlame(gas, grid=None, width=None)
|
| A premixed counterflow flame
|
| Method resolution order:
| CounterflowPremixedFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| Array of initial grid points. Not recommended unless solving only on
| a fixed grid; Use the `width` parameter instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.reactants``, ``self.flame``, and ``self.products``.
|
| set_initial_guess(self, equilibrate=True, data=None, group=None)
| Set the initial guess for the solution.
|
| If `equilibrate` is True, then the products composition and temperature
| will be set to the equilibrium state of the reactants mixture.
| Alternatively, a previously calculated result can be supplied as an
| initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| products
|
| reactants
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
class CounterflowTwinPremixedFlame(FlameBase)
| CounterflowTwinPremixedFlame(gas, grid=None, width=None)
|
| A twin premixed counterflow flame. Two opposed jets of the same composition
| shooting into each other.
|
| Method resolution order:
| CounterflowTwinPremixedFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| Array of initial grid points. Not recommended unless solving only on
| a fixed grid; Use the `width` parameter instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.reactants``, ``self.flame``, and ``self.products``.
|
| set_initial_guess(self, data=None, group=None)
| Set the initial guess for the solution based on an equilibrium solution.
| Alternatively, a previously calculated result can be supplied as an
| initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| products
|
| reactants
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
class FlameBase(cantera._onedim.Sim1D)
| FlameBase(domains, gas, grid=None)
|
| Base class for flames with a single flow domain
|
| Method resolution order:
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, domains, gas, grid=None)
| :param gas:
| object to use to evaluate all gas properties and reaction rates
| :param grid:
| array of initial grid points
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_initial_guess(self, *args, data=None, group=None, **kwargs)
| Set the initial guess for the solution, and load restart data if
| provided. Derived classes extend this function to set approximations
| for the temperature and composition profiles.
|
| :param data:
| Restart data, which are typically based on an earlier simulation
| result. Restart data may be specified using a `SolutionArray`,
| `pandas.DataFrame`, or previously saved CSV, YAML or HDF container files.
| Note that restart data do not overwrite boundary conditions.
| HDF input requires Cantera compiled with HDF support. DataFrame input
| requires a working installation of *pandas*, which can be installed using
| pip or conda (package: ``pandas``).
| :param group:
| Group identifier within a HDF container file (only used in
| combination with HDF restart data).
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
class FreeFlame(FlameBase)
| FreeFlame(gas, grid=None, width=None)
|
| A freely-propagating flat flame.
|
| Method resolution order:
| FreeFlame
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None)
| A domain of type `FreeFlow` named 'flame' will be created to represent
| the flame. The three domains comprising the stack are stored as ``self.inlet``,
| ``self.flame``, and ``self.outlet``.
|
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on a fixed grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
|
| get_flame_speed_reaction_sensitivities(self)
| Compute the normalized sensitivities of the laminar flame speed
| :math:`S_u` with respect to the reaction rate constants :math:`k_i`:
|
| .. math::
|
| s_i = \frac{k_i}{S_u} \frac{dS_u}{dk_i}
|
| set_initial_guess(self, locs=[0.0, 0.3, 0.5, 1.0], data=None, group=None)
| Set the initial guess for the solution. By default, the adiabatic flame
| temperature and equilibrium composition are computed for the inlet gas
| composition. Alternatively, a previously calculated result can be
| supplied as an initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| :param locs:
| A list of four locations to define the temperature and mass fraction
| profiles. Profiles rise linearly between the second and third
| location. Locations are given as a fraction of the entire domain
|
| solve(self, loglevel=1, refine_grid=True, auto=False, stage=None)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
| :param stage: solution stage; only used when transport model is ``ionized-gas``.
|
| .. deprecated:: 3.2
|
| The ``stage`` argument will be removed after Cantera 3.2. Replaced by
| setting the `electric_field_enabled` property.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| inlet
|
| outlet
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
class ImpingingJet(FlameBase)
| ImpingingJet(gas, grid=None, width=None, surface=None)
|
| An axisymmetric flow impinging on a surface at normal incidence.
|
| Method resolution order:
| ImpingingJet
| FlameBase
| cantera._onedim.Sim1D
| builtins.object
|
| Methods defined here:
|
| __init__(self, gas, grid=None, width=None, surface=None)
| :param gas:
| `Solution` (using the IdealGas thermodynamic model) used to
| evaluate all gas properties and reaction rates.
| :param grid:
| A list of points to be used as the initial grid. Not recommended
| unless solving only on the initial grid; Use the `width` parameter
| instead.
| :param width:
| Defines a grid on the interval [0, width] with internal points
| determined automatically by the solver.
| :param surface:
| A Kinetics object used to compute any surface reactions.
|
| A domain of class `AxisymmetricFlow` named ``flame`` will be created to
| represent the flame. The three domains comprising the stack are stored as
| ``self.inlet``, ``self.flame``, and ``self.surface``.
|
| set_initial_guess(self, products='inlet', data=None, group=None)
| Set the initial guess for the solution. If products = 'equil', then
| the equilibrium composition at the adiabatic flame temperature will be
| used to form the initial guess. Otherwise the inlet composition will
| be used. Alternatively, a previously calculated result can be supplied
| as an initial guess via 'data' and 'key' inputs (see
| `FlameBase.set_initial_guess`).
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| flame
|
| inlet
|
| surface
|
| ----------------------------------------------------------------------
| Methods inherited from FlameBase:
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mass_fraction('H')
| [1.0, ..., 0.0]
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` at each grid point, which is defined as:
|
| .. math:: Z_{\mathrm{mole},m} = \sum_k \frac{a_{m,k}}{\sum_j a_{j,k}} X_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k` and :math:`X_k` the mole fraction of species
| :math:`k`.
|
| :param m:
| Base element, may be specified by name or by index.
|
| >>> phase.elemental_mole_fraction('H')
| [1.0, ..., 0.0]
|
| from_array(self, arr, domain=None)
| Restore the solution vector from a `SolutionArray` object.
|
| :param arr:
| `SolutionArray` containing data to be restored.
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
|
| .. versionadded:: 3.0
|
| get_refine_criteria(self)
| Get a dictionary of the criteria used for grid refinement. The items in
| the dictionary are the ``ratio``, ``slope``, ``curve``, and ``prune``,
| as defined in `~FlameBase.set_refine_criteria`.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
| >>> f.get_refine_criteria()
| {'ratio': 3.0, 'slope': 0.1, 'curve': 0.2, 'prune': 0.0}
|
| set_gas_state(self, point)
| Set the state of the `Solution` object used for calculations to the temperature
| and composition at the point with index ``point``.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable with `Domain1D.updateState`.
|
| set_profile(self, component, positions, values)
| Set an initial estimate for a profile of one component.
|
| :param component:
| component name or index
| :param positions:
| sequence of relative positions, from 0 on the left to 1 on the right
| :param values:
| sequence of values at the relative positions specified in ``positions``
|
| >>> f.set_profile('T', [0.0, 0.2, 1.0], [400.0, 800.0, 1500.0])
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by Domain1D.set_profile.
|
| set_refine_criteria(self, ratio=10.0, slope=0.8, curve=0.8, prune=0.0)
| Set the criteria used for grid refinement.
|
| :param ratio:
| additional points will be added if the ratio of the spacing on
| either side of a grid point exceeds this value
| :param slope:
| maximum difference in value between two adjacent points, scaled by
| the maximum difference in the profile (0.0 < slope < 1.0). Adds
| points in regions of high slope.
| :param curve:
| maximum difference in slope between two adjacent intervals, scaled
| by the maximum difference in the profile (0.0 < curve < 1.0). Adds
| points in regions of high curvature.
| :param prune:
| if the slope or curve criteria are satisfied to the level of
| 'prune', the grid point is assumed not to be needed and is removed.
| Set prune significantly smaller than 'slope' and 'curve'. Set to
| zero to disable pruning the grid.
|
| >>> f.set_refine_criteria(ratio=3.0, slope=0.1, curve=0.2, prune=0)
|
| to_array(self, domain=None, normalize=False)
| Retrieve domain data as a `SolutionArray` object.
|
| :param domain:
| Domain to be converted; by default, the method retrieves the flow domain
| :param normalize:
| Boolean flag indicating whether mass/mole fractions should be normalized
|
| .. versionadded:: 3.0
|
| to_pandas(self, species='X', normalize=True)
| Return the solution vector as a `pandas.DataFrame`.
|
| :param species:
| Attribute to use obtaining species profiles, for example ``X`` for
| mole fractions or ``Y`` for mass fractions.
| :param normalize:
| Boolean flag to indicate whether the mole/mass fractions should
| be normalized (default is ``True``)
|
| This method uses `to_array` and requires a working *pandas*
| installation. Use pip or conda to install ``pandas`` to enable this
| method.
|
| ----------------------------------------------------------------------
| Readonly properties inherited from FlameBase:
|
| E
| Array containing the electric field strength at each point.
| Note: This value is named ``eField`` in the C++ code and is only defined if
| the transport model is ``ionized-gas``.
|
| L
| Array containing the radial pressure gradient (1/r)(dP/dr) [N/m⁴] at
| each point. Note: This value is named ``Lambda`` in the C++ code.
|
| T
| Array containing the temperature [K] at each grid point.
|
| Uo
| Array containing the oxidizer velocity (right boundary velocity) [m/s] at
| each point.
| Note: This value is named ``Uo`` in the C++ code and is only defined when using
| two-point control.
|
| X
| Array of mole fractions of size `n_species` x `n_points`
|
| Y
| Array of mass fractions of size `n_species` x `n_points`
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| Returns an array of size `n_species` x `n_points`.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| Returns an array of size `n_species` x `n_points`.
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| concentrations
| Array of species concentrations [kmol/m³] of size `n_species` x `n_points`
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| Returns an array of length `n_points`.
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| creation_rates
| Creation rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddC
| Calculate derivatives of species creation rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddP
| Calculate derivatives of species creation rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| creation_rates_ddT
| Calculate derivatives of species creation rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| Returns an array of length `n_points`.
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| Returns an array of length `n_points`.
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| delta_enthalpy
| Change in enthalpy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_entropy
| Change in entropy for each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_gibbs
| Change in Gibbs free energy for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_enthalpy
| Change in standard-state enthalpy (independent of composition) for
| each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_entropy
| Change in standard-state entropy (independent of composition) for
| each reaction [J/kmol/K].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| delta_standard_gibbs
| Change in standard-state Gibbs free energy (independent of composition)
| for each reaction [J/kmol].
|
| Returns an array of size `n_reactions` x `n_points`.
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| density_mass
| (Mass) density [kg/m³].
|
| Returns an array of length `n_points`.
|
| density_mole
| Molar density [kmol/m³].
|
| Returns an array of length `n_points`.
|
| destruction_rates
| Destruction rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddC
| Calculate derivatives of species destruction rates with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddP
| Calculate derivatives of species destruction rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| destruction_rates_ddT
| Calculate derivatives of species destruction rates with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| Returns an array of length `n_points`.
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| Returns an array of length `n_points`.
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| Returns an array of length `n_points`.
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| Returns an array of length `n_points`.
|
| equilibrium_constants
| Equilibrium constants in concentration units for all reactions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants
| Forward rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddC
| Calculate derivatives for forward rate constants with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddP
| Calculate derivatives for forward rate constants with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rate_constants_ddT
| Calculate derivatives for forward rate constants with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress
| Forward rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddC
| Calculate derivatives for forward rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddP
| Calculate derivatives for forward rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| forward_rates_of_progress_ddT
| Calculate derivatives for forward rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| Returns an array of length `n_points`.
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| grid
| Array of grid point positions along the flame.
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| heat_production_rates
| Get the volumetric heat production rates [W/m³] on a per-reaction
| basis. The sum over all reactions results in the total volumetric heat
| release rate.
| Example: C. K. Law: Combustion Physics (2006), Fig. 7.8.6
|
| >>> gas.heat_production_rates[1] # heat production rate of the 2nd reaction
|
| Returns an array of size `n_reactions` x `n_points`.
|
| heat_release_rate
| Get the total volumetric heat release rate [W/m³].
|
| Returns an array of length `n_points`.
|
| int_energy
| Internal energy in [J/kg or J/kmol].
|
| Returns an array of length `n_points`.
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| Returns an array of length `n_points`.
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| Returns an array of length `n_points`.
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| Returns an array of length `n_points`.
|
| left_control_point_coordinate
| Get the left control point coordinate [m]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| Returns an array of length `n_points`.
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates
| Net production rates for each species. [kmol/m³/s] for bulk phases or
| [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddC
| Calculate derivatives of species net production rates with respect to molar
| density at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddP
| Calculate derivatives of species net production rates with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_production_rates_ddT
| Calculate derivatives of species net production rates with respect to
| temperature at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_species` x `n_points`.
|
| net_rates_of_progress
| Net rates of progress for the reactions. [kmol/m³/s] for bulk phases
| or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddC
| Calculate derivatives for net rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddP
| Calculate derivatives for net rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| net_rates_of_progress_ddT
| Calculate derivatives for net rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| Returns an array of size `n_species` x `n_points`.
|
| reverse_rate_constants
| Reverse rate constants for all reactions.
|
| The computed values include all temperature-dependent and pressure-dependent
| contributions. By default, third-body concentrations are only considered if
| they are part of the reaction rate definition; for a legacy implementation that
| includes third-body concentrations, see `use_legacy_rate_constants`.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress
| Reverse rates of progress for the reactions. [kmol/m³/s] for bulk
| phases or [kmol/m²/s] for surface phases.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddC
| Calculate derivatives for reverse rates-of-progress with respect to molar
| concentration at constant temperature, pressure and mole fractions.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddP
| Calculate derivatives for reverse rates-of-progress with respect to pressure
| at constant temperature, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| reverse_rates_of_progress_ddT
| Calculate derivatives for reverse rates-of-progress with respect to temperature
| at constant pressure, molar concentration and mole fractions.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| right_control_point_coordinate
| Get the right control point coordinate [m]
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| sound_speed
| Speed of sound [m/s].
|
| Returns an array of length `n_points`.
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| Returns an array of size `n_species` x `n_points`.
|
| spread_rate
| Array containing the tangential velocity gradient [1/s] (that is, radial
| velocity divided by radius) at each point.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| Returns an array of length `n_points`.
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| Returns an array of size `n_species` x `n_points`.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| Returns an array of length `n_points`.
|
| third_body_concentrations
| Effective third-body concentrations used by individual reactions; values
| are only defined for reactions involving third-bodies and are set to
| not-a-number otherwise.
|
| Returns an array of size `n_reactions` x `n_points`.
|
| velocity
| Array containing the velocity [m/s] normal to the flame at each point.
|
| viscosity
| Viscosity [Pa-s].
|
| Returns an array of length `n_points`.
|
| volume
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| Returns an array of length `n_points`.
|
| volume_mass
| Specific volume [m³/kg].
|
| Returns an array of length `n_points`.
|
| volume_mole
| Molar volume [m³/kmol].
|
| Returns an array of length `n_points`.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlameBase:
|
| P
| Get/Set the pressure of the flame [Pa]
|
| boundary_emissivities
| Set/get boundary emissivities.
|
| electric_field_enabled
| Get/Set whether or not to solve the Poisson's equation.
|
| Used in conjunction with the ``ion-transport`` transport model to model
| diffusion of ionized species. See classes :ct:`IonFlow` and
| :ct:`IonGasTransport`.
|
| energy_enabled
| Get/Set whether or not to solve the energy equation.
|
| flux_gradient_basis
| Get/Set whether or not species diffusive fluxes are computed with
| respect to their mass fraction gradients ('mass')
| or mole fraction gradients ('molar', default) when
| using the mixture-averaged transport model.
|
| gas
|
| left_control_point_temperature
| Get/Set the left control point temperature [K]
|
| max_grid_points
| Get/Set the maximum number of grid points used in the solution of
| this flame.
|
| radiation_enabled
| Get/Set whether or not to include radiative heat transfer
|
| right_control_point_temperature
| Get/Set the right control point temperature [K]
|
| soret_enabled
| Get/Set whether or not to include diffusive mass fluxes due to the
| Soret effect. Enabling this option works only when using the
| multicomponent transport model.
|
| transport_model
| Get/Set the transport model used by the `Solution` object used for this
| simulation.
|
| two_point_control_enabled
| Get/Set whether or not to active two point flame control.
|
| ----------------------------------------------------------------------
| Methods inherited from cantera._onedim.Sim1D:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_stats(self)
| Clear solver statistics.
|
| domain_index(self, dom)
| Get the index of a domain, specified either by name or as a Domain1D object.
|
| eval(self, rdt=0.0)
| Evaluate the governing equations using the current solution estimate,
| storing the residual in the array which is accessible with the
| `Domain1D.residuals` function.
|
| :param rdt:
| Reciprocal of the time-step
|
| extinct(self)
| Method overloaded for some flame types to indicate if the flame has been
| extinguished. Base class method always returns 'False'
|
| get_max_grid_points(self, domain)
| Get the maximum number of grid points in the specified domain.
|
| phase(self, domain=None)
| Return phase describing a domain (that is, a gas phase or surface phase).
|
| :param domain: Index of domain within `Sim1D.domains` list; the default
| is to return the phase of the parent `Sim1D` object.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Contents should be accessed via
| `Domain1D.phase` properties of domain objects instead.
|
| profile(self, domain, component)
| Spatial profile of one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
|
| >>> T = s.profile(flow, 'T')
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.values`.
|
| refine(self, loglevel=1)
| Refine the grid, adding points where solution is not adequately
| resolved.
|
| restore(self, filename='soln.yaml', name='solution', loglevel=None)
| Retrieve data and settings from a previously saved simulation.
|
| This method restores a simulation object from YAML or HDF data previously saved
| using the `save` method.
|
| :param filename:
| Name of container file (YAML or HDF)
| :param name:
| Identifier of location within the container file; this node/group contains
| header information and subgroups with domain-specific `SolutionArray` data
| :param loglevel:
| Amount of logging information to display while restoring,
| from 0 (disabled) to 2 (most verbose).
| :return:
| Dictionary containing header information
|
| >>> s.restore(filename='save.yaml', name='energy_off')
|
| .. versionchanged:: 3.0
| Implemented return value for meta data; loglevel is no longer supported
|
| restore_steady_solution(self)
| Set the current solution vector to the last successful steady-state
| solution. This can be used to examine the solver progress after a
| failure during grid refinement.
|
| restore_time_stepping_solution(self)
| Set the current solution vector to the last successful time-stepping
| solution. This can be used to examine the solver progress after a failed
| integration.
|
| save(self, filename='soln.yaml', name='solution', description=None, loglevel=None, *, overwrite=False, compression=0, basis=None)
| Save current simulation data to a data file (CSV, YAML or HDF).
|
| In order to save the content of the current object, individual domains are
| converted to `SolutionArray` objects and saved using the `~SolutionArray.save`
| method. For HDF and YAML output, all domains are written to a single container
| file with shared header information. Simulation settings of individual domains
| are preserved as meta data of the corresponding `SolutionArray` objects.
| For CSV files, only state and auxiliary data of the main 1D domain are saved.
|
| The complete state of the current object can be restored from HDF and YAML
| container files using the `restore` method, while individual domains can be
| loaded using `SolutionArray.restore` for further analysis. While CSV files do
| not contain complete information, they can be used for setting initial states
| of individual simulation objects (example: `~FreeFlame.set_initial_guess`).
|
| :param filename:
| Name of output file (CSV, YAML or HDF)
| :param name:
| Identifier of storage location within the container file; this node/group
| contains header information and multiple subgroups holding domain-specific
| `SolutionArray` data (YAML/HDF only).
| :param description:
| Custom comment describing the dataset to be stored (YAML/HDF only).
| :param overwrite:
| Force overwrite if file and/or data entry exists; optional (default=`False`)
| :param compression:
| Compression level (0-9); optional (default=0; HDF only)
| :param basis:
| Output mass (``Y``/``mass``) or mole (``Y``/``mass``) fractions;
| if not specified (`None`), the native basis of the underlying `ThermoPhase`
| manager is used.
|
| >>> s.save(filename='save.yaml', name='energy_off',
| ... description='solution with energy eqn. disabled')
|
| .. versionchanged:: 3.0
| Argument loglevel is no longer supported
|
| set_flat_profile(self, domain, component, value)
| Set a flat profile for one component in one domain.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param v:
| value
|
| >>> s.set_flat_profile(d, 'u', -3.0)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.set_flat_profile`.
|
| set_grid_min(self, dz, domain=None)
| Set the minimum grid spacing on ``domain``. If ``domain`` is `None`, then
| set the grid spacing for all domains.
|
| set_interrupt(self, f)
| Set an interrupt function to be called each time that :ct:`OneDim::eval` is
| called. The signature of ``f`` is ``float f(float)``. The default
| interrupt function is used to trap `KeyboardInterrupt` exceptions so
| that ``ctrl-c`` can be used to break out of the C++ solver loop.
|
| set_jacobian_perturbation(self, relative, absolute, threshold)
| Configure perturbations used to evaluate finite difference Jacobian
|
| :param relative:
| Relative perturbation (multiplied by the absolute value of each component).
| Default ``1.0e-5``.
| :param absolute:
| Absolute perturbation (independent of component value). Default ``1.0e-10``.
| :param threshold:
| Threshold below which to exclude elements from the Jacobian. Default ``0.0``.
|
| set_left_control_point(self, T)
| Set the left control point using the specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the left control point's coordinate. Starting from
| the left boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the left control point's
| coordinate.
|
| set_max_grid_points(self, domain, npmax)
| Set the maximum number of grid points in the specified domain.
|
| set_max_jac_age(self, ss_age, ts_age)
| Set the maximum number of times the Jacobian will be used before it
| must be re-evaluated.
|
| :param ss_age:
| age criterion during steady-state mode
| :param ts_age:
| age criterion during time-stepping mode
|
| set_max_time_step(self, tsmax)
| Set the maximum time step.
|
| set_min_time_step(self, tsmin)
| Set the minimum time step.
|
| set_right_control_point(self, T)
| Set the right control point using a specified temperature. This user-provided
| temperature will be used to locate the closest grid point to that temperature,
| which will serve to locate the right control point's coordinate.Starting from
| the right boundary, the first grid point that is equal to or exceeds the
| specified temperature will be used to locate the right control point's
| coordinate.
|
| set_steady_callback(self, f)
| Set a callback function to be called after each successful steady-state
| solve, before regridding. The signature of ``f`` is ``float f(float)``. The
| argument passed to ``f`` is 0.0 and the output is ignored.
|
| set_time_step(self, stepsize, n_steps)
| Set the sequence of time steps to try when Newton fails.
|
| :param stepsize:
| initial time step size [s]
| :param n_steps:
| sequence of integer step numbers
|
| >>> s.set_time_step(1.0e-5, [1, 2, 5, 10])
|
| set_time_step_callback(self, f)
| Set a callback function to be called after each successful timestep.
| The signature of ``f`` is ``float f(float)``. The argument passed to ``f`` is
| the size of the timestep. The output is ignored.
|
| set_time_step_factor(self, tfactor)
| Set the factor by which the time step will be increased after a
| successful step, or decreased after an unsuccessful one.
|
| set_value(self, domain, component, point, value)
| Set the value of one component in one domain at one point to 'value'.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
| :param value:
| numerical value
|
| >>> s.set(d, 3, 5, 6.7)
| >>> s.set(1, 0, 5, 6.7)
| >>> s.set('flow', 'T', 5, 500)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.setValue` or
| `Domain1D.setValues`.
|
| show(self)
| Print the current solution.
|
| .. todo::
|
| Consolidate with `Domain1D.info`
|
| show_stats(self, print_time=True)
| Show the statistics for the last solution.
|
| If invoked with no arguments or with a non-zero argument, the timing
| statistics will be printed. Otherwise, the timing will not be printed.
|
| solve(self, loglevel=1, refine_grid=True, auto=False)
| Solve the problem.
|
| :param loglevel:
| integer flag controlling the amount of diagnostic output. Zero
| suppresses all output, and 5 produces very verbose output.
| :param refine_grid:
| if True, enable grid refinement.
| :param auto: if True, sequentially execute the different solution stages
| and attempt to automatically recover from errors. Attempts to first
| solve on the initial grid with energy enabled. If that does not
| succeed, a fixed-temperature solution will be tried followed by
| enabling the energy equation, and then with grid refinement enabled.
| If non-default tolerances have been specified or multicomponent
| transport is enabled, an additional solution using these options
| will be calculated.
|
| solve_adjoint(self, perturb, n_params, dgdx, g=None, dp=1e-05)
| Find the sensitivities of an objective function using an adjoint method.
|
| For an objective function :math:`g(x, p)` where :math:`x` is the state
| vector of the system and :math:`p` is a vector of parameters, this
| computes the vector of sensitivities :math:`dg/dp`. This assumes that
| the system of equations has already been solved to find :math:`x`.
|
| :param perturb:
| A function with the signature ``perturb(sim, i, dp)`` which
| perturbs parameter ``i`` by a relative factor of ``dp``. To
| perturb a reaction rate constant, this function could be defined
| as::
|
| def perturb(sim, i, dp):
| sim.gas.set_multiplier(1+dp, i)
|
| Calling ``perturb(sim, i, 0)`` should restore that parameter to its
| default value.
| :param n_params:
| The length of the vector of sensitivity parameters
| :param dgdx:
| The vector of partial derivatives of the function :math:`g(x, p)`
| with respect to the system state :math:`x`.
| :param g:
| A function with the signature ``value = g(sim)`` which computes the
| value of :math:`g(x,p)` at the current system state. This is used to
| compute :math:`\partial g/\partial p`. If this is identically zero
| (that is, :math:`g` is independent of :math:`p`) then this argument may
| be omitted.
| :param dp:
| A relative value by which to perturb each parameter
|
| value(self, domain, component, point)
| Solution value at one point
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number within ``domain`` starting with 0 on the left
|
| >>> t = s.value('flow', 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.value` or
| `Domain1D.getValues`.
|
| work_value(self, domain, component, point)
| Internal work array value at one point. After calling `eval`, this array
| contains the values of the residual function.
|
| :param domain:
| Domain1D object, name, or index
| :param component:
| component name or index
| :param point:
| grid point number in the domain, starting with zero at the left
|
| >>> t = s.value(flow, 'T', 6)
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Replaceable by `Domain1D.residuals`.
|
| ----------------------------------------------------------------------
| Static methods inherited from cantera._onedim.Sim1D:
|
| __new__(*args, **kwargs) class method of cantera._onedim.Sim1D
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera._onedim.Sim1D:
|
| domains
|
| eval_count_stats
| Return number of non-Jacobian function evaluations made in each call to
| solve()
|
| eval_time_stats
| Return CPU time spent on non-Jacobian function evaluations in each call
| to solve()
|
| fixed_temperature
| Set the temperature used to fix the spatial location of a freely
| propagating flame.
|
| fixed_temperature_location
| Return the location of the point where temperature is fixed for a freely
| propagating flame.
|
| grid_size_stats
| Return total grid size in each call to solve()
|
| jacobian_count_stats
| Return number of Jacobian evaluations made in each call to solve()
|
| jacobian_time_stats
| Return CPU time spent evaluating Jacobians in each call to solve()
|
| linear_solver
| Get/Set the the linear solver used to hold the Jacobian matrix and solve linear
| systems as part of each Newton iteration. The default is a banded, direct
| solver. See :ref:`sec-python-jacobians` for available solvers.
|
| max_time_step_count
| Get/Set the maximum number of time steps allowed before reaching the
| steady-state solution
|
| time_step_stats
| Return number of time steps taken in each call to solve()
DATA
__git_commit__ = '4a8358e'
VERSION
3.2.0
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\onedim.py
cantera.permeability_0
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.planck
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.print_stack_trace_on_segfault
Python Library Documentation: cython_function_or_method in module cantera._utils
print_stack_trace_on_segfault()
Enable printing a stack trace if a segfault occurs. Not recommended for general
use as it is possible for this to deadlock.
.. versionadded:: 3.0
cantera.reaction
Python Library Documentation: module cantera.reaction in cantera
NAME
cantera.reaction
CLASSES
builtins.object
Arrhenius
ExtensibleRateData
Reaction
ReactionRate
ArrheniusRateBase
ArrheniusRate
BlowersMaselRate
InterfaceRateBase
InterfaceArrheniusRate
InterfaceBlowersMaselRate
StickRateBase
StickingArrheniusRate
StickingBlowersMaselRate
TwoTempPlasmaRate
ChebyshevRate
CustomRate
ElectronCollisionPlasmaRate
ExtensibleRate
FalloffRate
LindemannRate
SriRate
TroeRate
TsangRate
LinearBurkeRate
PlogRate
ThirdBody
class Arrhenius(builtins.object)
| A reaction rate coefficient which depends on temperature only and follows
| the modified Arrhenius form:
|
| .. math::
|
| k_f = A T^b \exp(-\tfrac{E}{RT})
|
| where ``A`` is the `pre_exponential_factor`, ``b`` is the `temperature_exponent`,
| and ``E`` is the `activation_energy`.
|
| .. deprecated:: 3.2
|
| To be removed after Cantera 3.2. Use class `ArrheniusRate` instead.
|
| Methods defined here:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
class ArrheniusRate(ArrheniusRateBase)
| A reaction rate coefficient which depends on temperature only and follows
| the modified Arrhenius form:
|
| .. math::
|
| k_f = A T^b \exp(-\tfrac{E_a}{RT})
|
| where ``A`` is the
| `pre_exponential_factor <ArrheniusRateBase.pre_exponential_factor>`, ``b`` is the
| `temperature_exponent <ArrheniusRateBase.temperature_exponent>`, and ``Ea`` is the
| `activation_energy <ArrheniusRateBase.activation_energy>`.
|
| Method resolution order:
| ArrheniusRate
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class ArrheniusRateBase(ReactionRate)
| Base class collecting commonly used features of Arrhenius-type rate objects.
| Objects should be instantiated by specialized classes, for example `ArrheniusRate`,
| `BlowersMaselRate` and `TwoTempPlasmaRate`.
|
| Method resolution order:
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class BlowersMaselRate(ArrheniusRateBase)
| A reaction rate coefficient which depends on temperature and enthalpy change
| of the reaction follows the Blowers-Masel approximation and modified Arrhenius form
| described in `ArrheniusRate`.
|
| Method resolution order:
| BlowersMaselRate
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| bond_energy
| Average bond dissociation energy of the bond being formed and broken
| in the reaction ``E`` [J/kmol].
|
| delta_enthalpy
| Enthalpy change of reaction ``deltaH`` [J/kmol]
|
| The enthalpy change of reaction is a function of temperature and thus not
| an independent property. Accordingly, the setter should be only used for
| testing purposes, as any value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class ChebyshevRate(ReactionRate)
| A pressure-dependent reaction rate parameterized by a bivariate Chebyshev polynomial
| in temperature and pressure.
|
| Method resolution order:
| ChebyshevRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and pressure.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| data
| 2D array of Chebyshev coefficients where rows and columns correspond to
| temperature and pressure dimensions over which the Chebyshev fit is computed.
|
| n_pressure
| Number of pressures over which the Chebyshev fit is computed
| (same as number of columns of `data` property).
|
| n_temperature
| Number of temperatures over which the Chebyshev fit is computed.
| (same as number of rows of `data` property).
|
| pressure_range
| Valid pressure range [Pa] for the Chebyshev fit
|
| temperature_range
| Valid temperature range [K] for the Chebyshev fit
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class CustomRate(ReactionRate)
| A custom rate coefficient which depends on temperature only.
|
| The simplest way to create a `CustomRate` object is to use a lambda function,
| for example::
|
| rr = CustomRate(lambda T: 38.7 * T**2.7 * exp(-3150.15/T))
|
| .. warning::
|
| This class is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| Method resolution order:
| CustomRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| set_rate_function(self, k)
| Set the function describing a custom reaction rate::
|
| rr = CustomRate()
| rr.set_rate_function(lambda T: 38.7 * T**2.7 * exp(-3150.15/T))
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class ElectronCollisionPlasmaRate(ReactionRate)
| A reaction rate coefficient which depends on electron collision cross section
| and electron energy distribution
|
| Method resolution order:
| ElectronCollisionPlasmaRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| cross_sections
| The cross sections [m2]. Each cross section corresponds to a energy
| level of `energy_levels`.
|
| energy_levels
| The energy levels [eV]. Each level corresponds to a cross section
| of `cross_sections`.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class ExtensibleRate(ReactionRate)
| A base class for a user-defined reaction rate parameterization. Classes derived from
| this class should be decorated with the `extension` decorator to specify the name
| of the rate parameterization and its corresponding data class, and to make these
| rates constructible through factory functions and input files.
|
| Classes derived from `ExtensibleRate` should implement the `set_parameters`,
| `get_parameters`, `eval`, and (optionally) `validate` methods, which will be called
| as delegates from the C++ :ct:`ReactionRate` class.
|
| .. warning::
|
| The delegatable methods defined here are an experimental part of the
| Cantera API and may change without notice.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| eval(self, data: 'ExtensibleRateData') -> 'float'
| Responsible for calculating the forward rate constant based on the current state
| of the phase, stored in an instance of a class derived from
| `ExtensibleRateData`.
|
| get_parameters(self, params: 'AnyMap') -> 'None'
| Responsible for serializing the state of the ExtensibleRate object, using the
| same format as a YAML reaction entry. This is the inverse of `set_parameters`.
|
| Serialization methods may request output in unit systems other than Cantera's
| native mks+kmol system. To enable conversions to the user-specified unit system,
| dimensional values should be added to ``params`` using the methods
| `AnyMap.set_quantity` and `AnyMap.set_activation_energy`.
|
| set_parameters(self, params: 'AnyMap', rate_coeff_units: 'UnitStack') -> 'None'
| Responsible for setting rate parameters based on the input data. For example,
| for reactions created from YAML, ``params`` is the YAML reaction entry converted
| to an ``AnyMap``. ``rate_coeff_units`` specifies the units of the rate
| coefficient.
|
| Input values contained in ``params`` may be in non-default unit systems,
| specified in the user-provided input file. To convert them to Cantera's native
| mks+kmol unit system, use the functions `AnyMap.convert`,
| `AnyMap.convert_activation_energy`, and `AnyMap.convert_rate_coeff` as needed.
|
| validate(self, equation: 'str', soln: "'Solution'") -> 'None'
| Responsible for validating that the rate expression is configured with valid
| parameters. This may depend on properties of the Solution, for example
| temperature ranges over which the rate expression can be evaluated. Raises an
| exception if any validation fails.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| delegatable_methods = {'eval': ('evalFromStruct', 'double(void*)', 're...
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class ExtensibleRateData(builtins.object)
| A base class for data used when evaluating instances of `ExtensibleRate`. Classes
| derived from `ExtensibleRateData` are used to store common data needed to evaluate
| all reactions of a particular type.
|
| Classes derived from `ExtensibleRateData` must implement the `update` method. After
| the `update` method has been called, instances of `ExtensibleRateData` are passed as
| the argument to `ExtensibleRate.eval`.
|
| .. versionadded:: 3.0
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __reduce_cython__(self)
|
| __setstate__ = __setstate_cython__(...)
|
| __setstate_cython__(self, __pyx_state)
|
| update(self, soln)
| This method takes a `Solution` object and stores any thermodynamic data (for
| example, temperature and pressure) needed to evaluate all reactions of the
| corresponding ReactionRate type.
|
| If this state data has changed since the last time `update` was called and the
| reaction rates need to be updated, this method should return `True`. Otherwise,
| it should return `False`.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| delegatable_methods = {'update': ('update', 'double(void*)', 'replace'...
class FalloffRate(ReactionRate)
| Base class for parameterizations used to describe the fall-off in reaction rates
| due to intermolecular energy transfer.
|
| Note that `FalloffRate` is a base class for specialized fall-off parameterizations
| and cannot be instantiated by itself.
|
| Method resolution order:
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class InterfaceArrheniusRate(InterfaceRateBase)
| A reaction rate coefficient which depends on temperature and interface coverage
|
| Method resolution order:
| InterfaceArrheniusRate
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class InterfaceBlowersMaselRate(InterfaceRateBase)
| A reaction rate coefficient which depends on temperature and enthalpy change
| of the reaction follows the Blowers-Masel approximation and modified Arrhenius form
| described in `ArrheniusRate`.
|
| Method resolution order:
| InterfaceBlowersMaselRate
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| bond_energy
| Average bond dissociation energy of the bond being formed and broken
| in the reaction ``E`` [J/kmol].
|
| delta_enthalpy
| Enthalpy change of reaction ``deltaH`` [J/kmol]
|
| The enthalpy change of reaction is a function of temperature and thus not
| an independent property. Accordingly, the setter should be only used for
| testing purposes, as any value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class InterfaceRateBase(ArrheniusRateBase)
| Base class collecting commonly used features of Arrhenius-type rate objects
| that include coverage dependencies.
|
| Method resolution order:
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class LindemannRate(FalloffRate)
| The Lindemann falloff parameterization.
|
| This class implements the simple falloff function :math:`F(T,P_r) = 1.0`.
|
| Method resolution order:
| LindemannRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class LinearBurkeRate(ReactionRate)
| A reaction rate dependent on both pressure and mixture composition that accounts for
| collisions between reactants and bath gas species.
|
| Method resolution order:
| LinearBurkeRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class PlogRate(ReactionRate)
| A pressure-dependent reaction rate parameterized by logarithmically
| interpolating between Arrhenius rate expressions at various pressures.
|
| Method resolution order:
| PlogRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and pressure.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| rates
| Get/Set the rate coefficients for this reaction, which are given as a
| list of (pressure, `ArrheniusRate`) tuples.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class Reaction(builtins.object)
| A class which stores data about a reaction and its rate parameterization so
| that it can be added to a `Kinetics` object.
|
| :param reactants:
| Value used to set `reactants`
| :param products:
| Value used to set `products`
| :param rate:
| The rate parameterization for the reaction, given as one of the following:
|
| - a `ReactionRate` object
| - a `dict` containing the parameters needed to construct a `ReactionRate`
| object, with keys corresponding to the YAML format
| - a `dict` containing Arrhenius parameters (``A``, ``b``, and ``Ea``)
| :param equation:
| The reaction equation, used to set the reactants and products if values for
| those arguments are not provided.
|
| Examples::
|
| R = ct.Reaction({"O": 1, "H2": 1}, {"H": 1, "OH": 1},
| ct.ArrheniusRate(38.7, 2.7, 26191840.0))
| R = ct.Reaction(equation="O + H2 <=> H + OH",
| rate={"A": 38.7, "b": 2.7, "Ea": 26191840.0})
| R = ct.Reaction(equation="HO2 <=> OH + O", rate=ChebyshevRate(...))
|
| The static method `list_from_file` can be used to create a list of `Reaction`
| objects from existing definitions in the YAML format. The following will produce a
| list of the 325 reactions which make up the GRI 3.0 mechanism::
|
| R = ct.Reaction.list_from_file("gri30.yaml", gas)
|
| where `gas` is a `Solution` object with the appropriate thermodynamic model,
| which is the `ideal-gas` model in this case.
|
| The static method `list_from_yaml` can be used to create lists of `Reaction`
| objects from a YAML list::
|
| rxns = '''
| - equation: O + H2 <=> H + OH
| rate-constant: {A: 3.87e+04, b: 2.7, Ea: 6260.0}
| - equation: O + HO2 <=> OH + O2
| rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
| '''
| R = ct.Reaction.list_from_yaml(rxns, gas)
|
| The method `from_yaml` can be used to create individual `Reaction` objects from
| definitions in the YAML format. It is important to verify that either the
| pre-exponential factor and activation energy are supplied in SI units, or
| that they have their units specified::
|
| R = ct.Reaction.from_yaml('''{equation: O + H2 <=> H + OH,
| rate-constant: {A: 3.87e+04 cm^3/mol/s, b: 2.7, Ea: 6260 cal/mol}}''',
| gas)
|
| Methods defined here:
|
| __contains__(self, key, /)
| Return bool(key in self).
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| __str__(self, /)
| Return str(self).
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| from_dict(data, kinetics, hyphenize=True)
| Create a `Reaction` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a Reaction from a dictionary is::
|
| rxn = Reaction.from_dict(
| {"equation": "O + H2 <=> H + OH",
| "rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}},
| kinetics=gas)
|
| In the example, ``gas`` is a Kinetics (or Solution) object.
|
| :param data:
| A dictionary corresponding to the YAML representation.
| :param kinetics:
| A `Kinetics` object whose associated phase(s) contain the species
| involved in the reaction.
|
| from_yaml(text, kinetics)
| Create a `Reaction` object from its YAML string representation.
|
| An example for the creation of a Reaction from a YAML string is::
|
| rxn = Reaction.from_yaml('''
| equation: O + H2 <=> H + OH
| rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}
| ''', kinetics=gas)
|
| In the example, ``gas`` is a Kinetics (or Solution) object.
|
| :param text:
| The YAML reaction string.
| :param kinetics:
| A `Kinetics` object whose associated phase(s) contain the species
| involved in the reaction.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| list_from_file(filename, kinetics, section='reactions')
| Create a list of Reaction objects from all of the reactions defined in a
| YAML file. Reactions from the section ``section`` will be returned.
|
| Directories on Cantera's input file path will be searched for the
| specified file.
|
| list_from_yaml(text, kinetics)
| Create a list of `Reaction` objects from all the reactions defined in a
| YAML string.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| ID
| Get/Set the identification string for the reaction, which can be used in
| filtering operations.
|
| allow_negative_orders
| Get/Set a flag which is `True` if negative reaction orders are allowed.
| Default is `False`.
|
| allow_nonreactant_orders
| Get/Set a flag which is `True` if reaction orders can be specified for
| non-reactant species. Default is `False`.
|
| duplicate
| Get/Set a flag which is `True` if this reaction is marked as a duplicate
| or `False` otherwise.
|
| equation
| A string giving the chemical equation for this reaction. Determined
| automatically based on `reactants` and `products`.
|
| input_data
| Get input data for this reaction with its current parameter values,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| orders
| Get/Set the reaction order with respect to specific species as a dict
| with species names as the keys and orders as the values, or as a
| composition string. By default, mass-action kinetics is assumed, with
| the reaction order for each reactant species equal to each its
| stoichiometric coefficient.
|
| product_string
| A string representing the products side of the chemical equation for
| this reaction. Determined automatically based on `products`.
|
| products
| Get/Set the products in this reaction as a dict where the keys are
| species names and the values, are the stoichiometric coefficients, for example
| ``{'CH3':1, 'H2O':1}``, or as a composition string, for example
| ``'CH3:1, H2O:1'``.
|
| .. versionchanged:: 3.1 This is a read-only property
|
| rate
| Get/Set the reaction rate evaluator for this reaction.
|
| rate_coeff_units
| Get reaction rate coefficient units
|
| reactant_string
| A string representing the reactants side of the chemical equation for
| this reaction. Determined automatically based on `reactants`.
|
| reactants
| Get/Set the reactants in this reaction as a dict where the keys are
| species names and the values, are the stoichiometric coefficients, for example
| ``{'CH4':1, 'OH':1}``, or as a composition string, for example
| ``'CH4:1, OH:1'``.
|
| .. versionchanged:: 3.1 This is a read-only property
|
| reaction_type
| Retrieve the native type name of the reaction.
|
| reversible
| Get/Set a flag which is `True` if this reaction is reversible or `False`
| otherwise.
|
| third_body
| Returns a `ThirdBody` object if `Reaction` uses a third body collider, and
| ``None`` otherwise.
|
| .. versionadded:: 3.0
|
| third_body_name
| Returns name of `ThirdBody` collider if `Reaction` uses a third body collider,
| and ``None`` otherwise.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class ReactionRate(builtins.object)
| Base class for ReactionRate objects.
|
| ReactionRate objects are used to calculate reaction rates and are associated
| with a Reaction object.
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature.
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class SriRate(FalloffRate)
| The 3- or 5-parameter SRI falloff function.
|
| :param falloff_coeffs:
| An array of 3 or 5 parameters: :math:`[a, b, c, d, e]` where the last
| two parameters are optional (with default values of 1 and 0, respectively).
|
| Method resolution order:
| SriRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class StickRateBase(InterfaceRateBase)
| Base class collecting commonly used features of Arrhenius-type sticking rate
| objects that include coverage dependencies.
|
| Method resolution order:
| StickRateBase
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| motz_wise_correction
| Get/Set a boolean indicating whether to use the correction factor developed by
| Motz & Wise for reactions with high (near-unity) sticking coefficients when
| converting the sticking coefficient to a rate coefficient.
|
| sticking_order
| The exponent applied to site density (sticking order).
|
| The sticking order is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| sticking_species
| The name of the sticking species. Needed only for reactions with
| multiple non-surface reactant species, where the sticking species is
| ambiguous.
|
| sticking_weight
| The molecular weight of the sticking species.
|
| The sticking weight is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class StickingArrheniusRate(StickRateBase)
| A surface sticking rate expression based on the Arrhenius parameterization
|
| Method resolution order:
| StickingArrheniusRate
| StickRateBase
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from StickRateBase:
|
| motz_wise_correction
| Get/Set a boolean indicating whether to use the correction factor developed by
| Motz & Wise for reactions with high (near-unity) sticking coefficients when
| converting the sticking coefficient to a rate coefficient.
|
| sticking_order
| The exponent applied to site density (sticking order).
|
| The sticking order is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| sticking_species
| The name of the sticking species. Needed only for reactions with
| multiple non-surface reactant species, where the sticking species is
| ambiguous.
|
| sticking_weight
| The molecular weight of the sticking species.
|
| The sticking weight is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class StickingBlowersMaselRate(StickRateBase)
| A surface sticking rate expression based on the Blowers-Masel parameterization
|
| Method resolution order:
| StickingBlowersMaselRate
| StickRateBase
| InterfaceRateBase
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| bond_energy
| Average bond dissociation energy of the bond being formed and broken
| in the reaction ``E`` [J/kmol].
|
| delta_enthalpy
| Enthalpy change of reaction ``deltaH`` [J/kmol]
|
| The enthalpy change of reaction is a function of temperature and thus not
| an independent property. Accordingly, the setter should be only used for
| testing purposes, as any value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from StickRateBase:
|
| motz_wise_correction
| Get/Set a boolean indicating whether to use the correction factor developed by
| Motz & Wise for reactions with high (near-unity) sticking coefficients when
| converting the sticking coefficient to a rate coefficient.
|
| sticking_order
| The exponent applied to site density (sticking order).
|
| The sticking order is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| sticking_species
| The name of the sticking species. Needed only for reactions with
| multiple non-surface reactant species, where the sticking species is
| ambiguous.
|
| sticking_weight
| The molecular weight of the sticking species.
|
| The sticking weight is not an independent property and is detected automatically
| by Cantera. Accordingly, the setter should be only used for testing purposes.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| ----------------------------------------------------------------------
| Methods inherited from InterfaceRateBase:
|
| __call__(...)
| Evaluate rate expression based on temperature and surface coverages.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| set_species(self, species)
| Set association with an ordered list of all species associated with an
| `InterfaceKinetics` object.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from InterfaceRateBase:
|
| beta
| Return the charge transfer beta parameter
|
| coverage_dependencies
| Get/set a dictionary containing adjustments to the Arrhenius rate expression
| dependent on surface species coverages. The keys of the dictionary are species
| names, and the values are dictionaries specifying the three coverage
| parameters ``a``, ``m`` and ``E`` which are the modifiers for the pre-exponential
| factor [m, kmol, s units], the temperature exponent [nondimensional],
| and the activation energy [J/kmol], respectively.
|
| site_density
| Site density [kmol/m²].
|
| The site density is not an independent property, as it is set by an associated
| `InterfaceKinetics` object. Accordingly, the setter should be only used for
| testing purposes, as the value will be overwritten by an update of the
| thermodynamic state.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| uses_electrochemistry
| Return boolean flag indicating whether rate involves a charge transfer.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class ThirdBody(builtins.object)
| Class representing third-body collision partners in three-body or falloff reactions.
|
| :param collider:
| Name of the third-body collider. If ``M`` (default), the `default_efficiency`
| is set to 1 and the collider is assumed to participate in a three-body reaction.
| If the collider includes parentheses, - for example ``(+M)``, - a falloff form
| is assumed, where the collider is not considered for the law of mass action.
| For species other than ``M``, the third-body collider represents a named species
| with collision efficiency 1, and the `default_efficiency` is set to zero.
| :param efficiencies:
| Non-default third-body efficiencies
| :param default_efficiency:
| Default third-body efficiency
|
| .. versionadded:: 3.0
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| efficiency(self, species)
| Get the efficiency of the third body named ``species`` considering both
| the default efficiency and species-specific efficiencies.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| default_efficiency
| Get/Set the default third-body efficiency for this reaction, used for species
| not in `efficiencies`.
|
| efficiencies
| Get/Set a `dict` defining non-default third-body efficiencies for this reaction,
| where the keys are the species names and the values are the efficiencies.
|
| mass_action
| Retrieve flag indicating whether third-body collider participates
| in the law of mass action.
|
| name
| Get the name of the third-body collider used in the reaction equation.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class TroeRate(FalloffRate)
| The 3- or 4-parameter Troe falloff function.
|
| :param falloff_coeffs:
| An array of 3 or 4 parameters: :math:`[a, T^{***}, T^*, T^{**}]` where
| the final parameter is optional (with a default value of 0).
|
| Method resolution order:
| TroeRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class TsangRate(FalloffRate)
| The Tsang falloff parameterization.
|
| Method resolution order:
| TsangRate
| FalloffRate
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from FalloffRate:
|
| __call__(...)
| Evaluate rate expression based on temperature and third-body concentration.
|
| falloff_function(self, temperature, conc3b)
| Evaluate the falloff function based on temperature and third-body
| concentration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FalloffRate:
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| chemically_activated
| Get whether the object is a chemically-activated reaction rate.
|
| falloff_coeffs
| The array of coefficients used to define this falloff function.
|
| high_rate
| Get/Set the `ArrheniusRate` rate constant in the high-pressure limit
|
| low_rate
| Get/Set the `ArrheniusRate` rate constant in the low-pressure limit
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
class TwoTempPlasmaRate(ArrheniusRateBase)
| A reaction rate coefficient which depends on both gas and electron temperature
| with the form similar to the modified Arrhenius form. Specifically, the temperature
| exponent (b) is applied to the electron temperature instead. In addition, the
| exponential term with activation energy for electron is included.
|
| .. math::
|
| k_f = A T_e^b \exp(-\tfrac{E_{a,g}}{RT}) \exp(\tfrac{E_{a,e}(T_e - T)}{R T T_e})
|
| where :math:`A` is the
| `pre_exponential_factor <ArrheniusRateBase.pre_exponential_factor>`,
| :math:`b` is the `temperature_exponent <ArrheniusRateBase.temperature_exponent>`,
| :math:`E_{a,g}` (``Ea_gas``) is the
| `activation_energy <ArrheniusRateBase.activation_energy>`, and
| :math:`E_{a,e}` (``Ea_electron``) is the `activation_electron_energy`.
|
| Method resolution order:
| TwoTempPlasmaRate
| ArrheniusRateBase
| ReactionRate
| builtins.object
|
| Methods defined here:
|
| __call__(...)
| Evaluate rate expression based on temperature and enthalpy change of reaction.
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| activation_electron_energy
| The activation electron energy :math:`E_{a,e}` [J/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ArrheniusRateBase:
|
| activation_energy
| The activation energy ``E`` [J/kmol].
|
| allow_negative_pre_exponential_factor
| Get/Set whether the rate coefficient is allowed to have a negative
| pre-exponential factor.
|
| pre_exponential_factor
| The pre-exponential factor ``A`` in units of m, kmol, and s raised to
| powers depending on the reaction order.
|
| temperature_exponent
| The temperature exponent ``b``.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactionRate:
|
| __repr__(self, /)
| Return repr(self).
|
| ----------------------------------------------------------------------
| Class methods inherited from ReactionRate:
|
| from_dict(data, hyphenize=True)
| Create a `ReactionRate` object from a dictionary corresponding to its YAML
| representation. By default, underscores in keys are replaced by hyphens.
|
| An example for the creation of a `ReactionRate` from a dictionary is::
|
| rate = ReactionRate.from_dict(
| {"rate-constant": {"A": 38.7, "b": 2.7, "Ea": 26191840.0}})
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `ReactionRate` object from its YAML string representation.
|
| An example for the creation of a `ReactionRate` from a YAML string is::
|
| rate = ReactionRate.from_yaml(
| "rate-constant: {A: 38.7, b: 2.7, Ea: 6260.0 cal/mol}")
|
| Units for ``A`` require a unit system with length in ``m`` and quantity in
| ``kmol`` (standard Cantera units).
|
| :param text:
| The YAML reaction rate string.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactionRate:
|
| conversion_units
| Get the units for converting the leading term in the reaction rate expression
| to different unit systems.
|
| input_data
| Get input data for this reaction rate with its current parameter values.
|
| sub_type
| Get the C++ ReactionRate sub-type
|
| type
| Get the C++ ReactionRate type
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.reactionpath
Python Library Documentation: module cantera.reactionpath in cantera
NAME
cantera.reactionpath
CLASSES
builtins.object
ReactionPathDiagram
class ReactionPathDiagram(builtins.object)
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| add(self, other)
| Add fluxes from `other` to this diagram
|
| build(self, verbose=False)
| Build the reaction path diagram. Called automatically by methods which
| return representations of the diagram, for example `write_dot()`.
|
| display_only(self, k)
| Include only species and fluxes that are directly connected to the
| species with index ``k``. Set to -1 to include all species.
|
| get_data(self)
| Get a (roughly) human-readable representation of the reaction path diagram.
|
| get_dot(self)
| Return a string containing the reaction path diagram formatted for use
| by Graphviz's 'dot' program.
|
| write_dot(self, filename)
| Write the reaction path diagram formatted for use by Graphviz's 'dot'
| program to the file named ``filename``.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| arrow_width
| Get/Set the arrow width. If < 0, then scale with flux value.
|
| bold_color
| Get/Set the color for bold lines
|
| bold_threshold
| Get/Set the minimum relative flux for bold lines
|
| dashed_color
| Get/Set the color for dashed lines
|
| dot_options
| Get/Set options for the 'dot' program
|
| flow_type
| Get/Set the way flows are drawn. Either 'NetFlow' or 'OneWayFlow'
|
| font
| Get/Set the name of the font used
|
| label_threshold
| Get/Set the minimum relative flux for labels
|
| log
| Logging messages generated while building the reaction path diagram
|
| normal_color
| Get/Set the color for normal-weight lines
|
| normal_threshold
| Get/Set the maximum relative flux for dashed lines
|
| scale
| Get/Set the scaling factor for the fluxes. Set to -1 to normalize by the
| maximum net flux.
|
| show_details
| Get/Set whether to show the details of which reactions contribute to the flux.
|
| threshold
| Get/Set the threshold for the minimum flux relative value that will be plotted.
|
| title
| Get/Set the diagram title
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.reactor
Python Library Documentation: module cantera.reactor in cantera
NAME
cantera.reactor
CLASSES
builtins.object
ConnectorNode
FlowDevice
MassFlowController
PressureController
Valve
WallBase
Wall
ReactorBase
Reactor
ConstPressureMoleReactor
ConstPressureReactor
ExtensibleReactor
ExtensibleConstPressureMoleReactor
ExtensibleConstPressureReactor
ExtensibleIdealGasConstPressureMoleReactor
ExtensibleIdealGasConstPressureReactor
ExtensibleIdealGasMoleReactor
ExtensibleIdealGasReactor
ExtensibleMoleReactor
FlowReactor
IdealGasConstPressureMoleReactor
IdealGasConstPressureReactor
IdealGasMoleReactor
IdealGasReactor
MoleReactor
ReactorSurface
Reservoir
ReactorNet
class ConnectorNode(builtins.object)
| Common base class for walls and flow devices.
|
| Methods defined here:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| node_type = 'none'
class ConstPressureMoleReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor with a mole based
| state vector. The volume of the reactor changes as a function of time in order to
| keep the pressure constant.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ConstPressureMoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ConstPressureReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor. The volume
| of the reactor changes as a function of time in order to keep the
| pressure constant.
|
| Method resolution order:
| ConstPressureReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleConstPressureMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `ConstPressureMoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleConstPressureMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleConstPressureReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `ConstPressureReactor` class.
|
| Method resolution order:
| ExtensibleConstPressureReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleIdealGasConstPressureMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasConstPressureMoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleIdealGasConstPressureMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleIdealGasConstPressureReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasConstPressureReactor` class.
|
| Method resolution order:
| ExtensibleIdealGasConstPressureReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleIdealGasMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasMoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleIdealGasMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleIdealGasReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `IdealGasReactor` class.
|
| Method resolution order:
| ExtensibleIdealGasReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleIdealGasReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleMoleReactor(ExtensibleReactor)
| A variant of `ExtensibleReactor` where the base behavior corresponds to the
| `MoleReactor` class.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| ExtensibleMoleReactor
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ExtensibleMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ExtensibleReactor:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ExtensibleReactor:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ExtensibleReactor:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ExtensibleReactor(Reactor)
| A base class for a reactor with delegated methods where the base
| functionality corresponds to the `Reactor` class.
|
| The following methods of the C++ :ct:`Reactor` class can be modified by a
| Python class which inherits from this class. For each method, the name below
| should be prefixed with ``before_``, ``after_``, or ``replace_``, indicating
| whether this method should be called before, after, or instead of the
| corresponding method from the base class.
|
| For methods that return a value and have a ``before`` method specified, if
| that method returns a value other than ``None`` that value will be returned
| without calling the base class method; otherwise, the value from the base
| class method will be returned. For methods that return a value and have an
| ``after`` method specified, the returned value wil be the sum of the values
| from the supplied method and the base class method.
|
| ``initialize(self, t0: double) -> None``
| Responsible for allocating and setting the sizes of any internal
| variables, initializing attached walls, and setting the total number of
| state variables associated with this reactor, `n_vars`.
|
| Called once before the start of time integration.
|
| ``sync_state(self) -> None``
| Responsible for setting the state of the reactor to correspond to the
| state of the associated ThermoPhase object.
|
| ``get_state(self, y : double[:]) -> None``
| Responsible for populating the state vector ``y`` (length `n_vars`)
| with the initial state of the reactor.
|
| ``update_state(self, y : double[:]) -> None``
| Responsible for setting the state of the reactor object from the
| values in the state vector ``y`` (length `n_vars`)
|
| ``update_surface_state(self, y : double[:]) -> None``
| Responsible for setting the state of surface phases in this reactor
| from the values in the state vector ``y``. The length of ``y`` is the
| total number of surface species in all surfaces.
|
| ``get_surface_initial_conditions(self, y : double[:]) -> None``
| Responsible for populating the state vector ``y`` with the initial
| state of each surface phase in this reactor. The length of ``y`` is the
| total number of surface species in all surfaces.
|
| ``update_connected(self, update_pressure : bool) -> None``
| Responsible for storing properties which may be accessed by connected
| reactors, and for updating the mass flow rates of connected flow devices.
|
| ``eval(self, t : double, LHS : double[:], RHS : double[:]) -> None``
| Responsible for calculating the time derivative of the state at time ``t``
| based on the current state of the reactor. For each component ``i`` of the
| state vector, the time derivative ``dy[i]/dt`` is calculated as
| ``LHS[i] * dy[i]/dt = RHS[i]``. ``LHS`` and ``RHS`` are arrays of length
| `n_vars`.
|
| ``eval_walls(self, t : double) -> None``
| Responsible for calculating the net rate of volume change `expansion_rate`
| and the net rate of heat transfer `heat_rate` caused by walls connected
| to this reactor.
|
| ``eval_surfaces(LHS : double[:], RHS : double[:], sdot : double[:]) -> None``
| Responsible for calculating the ``LHS`` and ``RHS`` (length: total number of
| surface species in all surfaces) of the ODEs for surface species coverages,
| and the molar production rate of bulk phase species ``sdot`` (length: number
| of bulk phase species).
|
| ``component_name(i : int) -> string``
| Returns the name of the state vector component with index ``i``
|
| ``component_index(name: string) -> int``
| Returns the index of the state vector component named ``name``
|
| ``species_index(name : string) -> int``
| Returns the index of the species named ``name``, in either the bulk
| phase or a surface phase, relative to the start of the species terms in
| the state vector.
|
| Method resolution order:
| ExtensibleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| restore_surface_state(self, n)
| Set the state of the thermo object for surface ``n`` to correspond to the
| state of that surface
|
| restore_thermo_state(self)
| Set the state of the thermo object to correspond to the state of the
| reactor.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| expansion_rate
| Get/Set the net rate of volume change (for example, from moving walls) [m³/s]
|
| .. versionadded:: 3.0
|
| heat_rate
| Get/Set the net heat transfer rate (for example, through walls) [W]
|
| .. versionadded:: 3.0
|
| n_vars
| Get/Set the number of state variables in the reactor.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| delegatable_methods = {'component_index': ('componentIndex', 'size_t(s...
|
| reactor_type = 'ExtensibleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class FlowDevice(ConnectorNode)
| Base class for devices that allow flow between reactors.
|
| FlowDevice objects are assumed to be adiabatic, non-reactive, and have
| negligible internal volume, so that they are internally always in
| steady-state even if the upstream and downstream reactors are not. The
| fluid enthalpy, chemical composition, and mass flow rate are constant
| across a FlowDevice, and the pressure difference equals the difference in
| pressure between the upstream and downstream reactors.
|
| Method resolution order:
| FlowDevice
| ConnectorNode
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None)
| Draw as connection between upstream and downstream reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this flow
| controller connection.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| device_coefficient
| Device coefficient (defined by derived class).
|
| Example:
|
| >>> v = Valve(res1, reactor1)
| >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient'
|
| .. versionadded:: 3.2
|
| downstream
| Return the `Reactor` or `Reservoir` object downstream of the flow device.
|
| .. versionadded:: 3.1
|
| mass_flow_rate
| Get the mass flow rate [kg/s] through this device at the current reactor
| network time.
|
| pressure_function
| The relationship between mass flow rate and the pressure drop across a flow
| device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and
| a coefficient set by a flow device specific function. Unless a user-defined
| pressure function is provided, the function returns the pressure difference
| across the device. The calculation of mass flow rate depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.pressure_function = lambda dP: dP**2
|
| where `FlowDevice` is either a `Valve` or `PressureController` object.
|
| .. versionadded:: 3.0
|
| time_function
| The time dependence of a flow device. The mass flow rate [kg/s] is calculated
| for a Flow device, and multiplied by a function of time, which returns 1.0
| unless a user-defined function is provided. The calculation of mass flow rate
| depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2)
|
| where `FlowDevice` is either a `Valve` or `MassFlowController` object.
|
| .. versionadded:: 3.0
|
| upstream
| Return the `Reactor` or `Reservoir` object upstream of the flow device.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ConnectorNode:
|
| node_type = 'none'
class FlowReactor(Reactor)
| A steady-state plug flow reactor with constant cross sectional area.
| Integration follows a fluid element along the length of the reactor.
| The reactor is assumed to be frictionless and adiabatic.
|
| Method resolution order:
| FlowReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| area
| Get/set the area of the reactor [m²].
|
| When the area is changed, the flow speed is scaled to keep the total mass flow
| rate constant.
|
| inlet_surface_atol
| Get/Set the steady-state tolerances used to determine the initial surface
| species coverages.
|
| inlet_surface_max_error_failures
| Get/Set the maximum number of integrator error failures allowed when determining
| the initial surface species coverages.
|
| inlet_surface_max_steps
| Get/Set the maximum number of integrator steps used to determine the initial
| surface species coverages.
|
| inlet_surface_rtol
| Get/Set the steady-state tolerances used to determine the initial surface
| species coverages.
|
| mass_flow_rate
| Mass flow rate [kg/s]
|
| speed
| Speed [m/s] of the flow in the reactor at the current position
|
| surface_area_to_volume_ratio
| Get/Set the surface area to volume ratio of the reactor [1/m]
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'FlowReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class IdealGasConstPressureMoleReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor for ideal gas
| mixtures. The volume of the reactor changes as a function of time in order
| to keep the pressure constant. This reactor also uses a mole based state vector.
|
| Method resolution order:
| IdealGasConstPressureMoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasConstPressureMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class IdealGasConstPressureReactor(Reactor)
| A homogeneous, constant pressure, zero-dimensional reactor for ideal gas
| mixtures. The volume of the reactor changes as a function of time in order
| to keep the pressure constant.
|
| Method resolution order:
| IdealGasConstPressureReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasConstPressureReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class IdealGasMoleReactor(Reactor)
| A constant volume, zero-dimensional reactor for ideal gas mixtures with a mole
| based state vector
|
| Method resolution order:
| IdealGasMoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasMoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class IdealGasReactor(Reactor)
| A constant volume, zero-dimensional reactor for ideal gas mixtures.
|
| Method resolution order:
| IdealGasReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'IdealGasReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class MassFlowController(FlowDevice)
| A mass flow controller maintains a specified mass
| flow rate independent of upstream and downstream conditions. The equation
| used to compute the mass flow rate is
|
| .. math:: \dot m = \max(\dot m_0*g(t), 0.),
|
| where :math:`\dot m_0` is a constant value and :math:`g(t)` is a function of
| time. Both :math:`\dot m_0` and :math:`g(t)` can be set individually by
| properties `mass_flow_coeff` and `time_function`, respectively. The property
| `mass_flow_rate` combines the former into a single interface. Note that if
| :math:`\dot m_0*g(t) < 0`, the mass flow rate will be set to zero, since
| reversal of the flow direction is not allowed.
|
| Unlike a real mass flow controller, a MassFlowController object will
| maintain the flow even if the downstream pressure is greater than the
| upstream pressure. This allows simple implementation of loops, in which
| exhaust gas from a reactor is fed back into it through an inlet. But note
| that this capability should be used with caution, since no account is
| taken of the work required to do this.
|
| Method resolution order:
| MassFlowController
| FlowDevice
| ConnectorNode
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| mass_flow_coeff
| Set the mass flow rate [kg/s] through the mass flow controller
| as a constant, which may be modified by a function of time, see
| `time_function`.
|
| >>> mfc = MassFlowController(res1, reactor1)
| >>> mfc.mass_flow_coeff = 1e-4 # Set the flow rate to a constant
| >>> mfc.mass_flow_coeff # Get the flow rate value
|
| mass_flow_rate
| Set the mass flow rate [kg/s] through this controller to be either
| a constant or an arbitrary function of time. See `Func1`, or get its
| current value.
|
| Note that depending on the argument type, this method either changes
| the property `mass_flow_coeff` or updates the `time_function` property.
|
| >>> mfc.mass_flow_rate = 0.3
| >>> mfc.mass_flow_rate = lambda t: 2.5 * exp(-10 * (t - 0.5)**2)
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| node_type = 'MassFlowController'
|
| ----------------------------------------------------------------------
| Methods inherited from FlowDevice:
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None)
| Draw as connection between upstream and downstream reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this flow
| controller connection.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlowDevice:
|
| device_coefficient
| Device coefficient (defined by derived class).
|
| Example:
|
| >>> v = Valve(res1, reactor1)
| >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient'
|
| .. versionadded:: 3.2
|
| downstream
| Return the `Reactor` or `Reservoir` object downstream of the flow device.
|
| .. versionadded:: 3.1
|
| pressure_function
| The relationship between mass flow rate and the pressure drop across a flow
| device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and
| a coefficient set by a flow device specific function. Unless a user-defined
| pressure function is provided, the function returns the pressure difference
| across the device. The calculation of mass flow rate depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.pressure_function = lambda dP: dP**2
|
| where `FlowDevice` is either a `Valve` or `PressureController` object.
|
| .. versionadded:: 3.0
|
| time_function
| The time dependence of a flow device. The mass flow rate [kg/s] is calculated
| for a Flow device, and multiplied by a function of time, which returns 1.0
| unless a user-defined function is provided. The calculation of mass flow rate
| depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2)
|
| where `FlowDevice` is either a `Valve` or `MassFlowController` object.
|
| .. versionadded:: 3.0
|
| upstream
| Return the `Reactor` or `Reservoir` object upstream of the flow device.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
class MoleReactor(Reactor)
| A homogeneous zero-dimensional reactor with a mole based state vector. By default,
| they are closed (no inlets or outlets), have fixed volume, and have adiabatic,
| chemically-inert walls. These properties may all be changed by adding
| appropriate components such as `Wall`, `MassFlowController` and `Valve`.
|
| .. versionadded:: 3.0
|
| Method resolution order:
| MoleReactor
| Reactor
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'MoleReactor'
|
| ----------------------------------------------------------------------
| Methods inherited from Reactor:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Reactor:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class PressureController(FlowDevice)
| A PressureController is designed to be used in conjunction with another
| primary flow controller, typically a `MassFlowController`. The primary
| flow controller is installed on the inlet of the reactor, and the
| corresponding `PressureController` is installed on the outlet of the
| reactor. The `PressureController` mass flow rate is equal to the primary
| mass flow rate, plus a small correction dependent on the pressure
| difference:
|
| .. math:: \dot m = \dot m_{\rm primary} + K_v(P_1 - P_2).
|
| As an alternative, an arbitrary function of pressure differential can be
| specified using the `pressure_function` property, such that
|
| .. math:: \dot m = \dot m_{\rm primary} + K_v*f(P_1 - P_2)
|
| where :math:`f` is the arbitrary function of a single argument.
|
| Method resolution order:
| PressureController
| FlowDevice
| ConnectorNode
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| pressure_coeff
| Get/set the proportionality constant :math:`K_v` [kg/s/Pa] between the
| pressure drop and the mass flow rate.
|
| primary
| Primary `FlowDevice` used to compute this device's mass flow rate.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| node_type = 'PressureController'
|
| ----------------------------------------------------------------------
| Methods inherited from FlowDevice:
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None)
| Draw as connection between upstream and downstream reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this flow
| controller connection.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlowDevice:
|
| device_coefficient
| Device coefficient (defined by derived class).
|
| Example:
|
| >>> v = Valve(res1, reactor1)
| >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient'
|
| .. versionadded:: 3.2
|
| downstream
| Return the `Reactor` or `Reservoir` object downstream of the flow device.
|
| .. versionadded:: 3.1
|
| mass_flow_rate
| Get the mass flow rate [kg/s] through this device at the current reactor
| network time.
|
| pressure_function
| The relationship between mass flow rate and the pressure drop across a flow
| device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and
| a coefficient set by a flow device specific function. Unless a user-defined
| pressure function is provided, the function returns the pressure difference
| across the device. The calculation of mass flow rate depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.pressure_function = lambda dP: dP**2
|
| where `FlowDevice` is either a `Valve` or `PressureController` object.
|
| .. versionadded:: 3.0
|
| time_function
| The time dependence of a flow device. The mass flow rate [kg/s] is calculated
| for a Flow device, and multiplied by a function of time, which returns 1.0
| unless a user-defined function is provided. The calculation of mass flow rate
| depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2)
|
| where `FlowDevice` is either a `Valve` or `MassFlowController` object.
|
| .. versionadded:: 3.0
|
| upstream
| Return the `Reactor` or `Reservoir` object upstream of the flow device.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
class Reactor(ReactorBase)
| A homogeneous zero-dimensional reactor. By default, they are closed
| (no inlets or outlets), have fixed volume, and have adiabatic,
| chemically-inert walls. These properties may all be changed by adding
| appropriate components such as `Wall`, `MassFlowController` and `Valve`.
|
| Method resolution order:
| Reactor
| ReactorBase
| builtins.object
|
| Methods defined here:
|
| __init__(...)
| :param phase:
| A `Solution` object representing the Reactor contents
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<reactor_type>_n'`` when `Reactor` objects are installed
| within a `ReactorNet`. For the latter, ``<reactor_type>`` is the type of
| the reactor and *n* is an integer assigned in the order reactors are
| installed.
| :param energy:
| Set to ``'on'`` or ``'off'``. If set to ``'off'``, the energy
| equation is not solved, and the temperature is held at its
| initial value.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param group_name:
| Group reactors of the same ``group_name`` when drawn using graphviz.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` and ``group_name`` parameters.
|
| .. versionchanged:: 3.2
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Some examples showing how to create :class:`Reactor` objects are
| shown below.
|
| >>> gas = Solution('gri30.yaml')
| >>> r1 = Reactor(gas)
|
| Arguments may be specified using keywords:
|
| >>> r2 = Reactor(gas, energy='off',
| ... name='isothermal_reactor')
|
| add_sensitivity_species_enthalpy(self, k)
| Specifies that the sensitivity of the state variables with respect to
| species ``k`` should be computed. The reactor must be part of a network
| first.
|
| component_index(self, name)
| Returns the index of the component named ``name`` in the system. This determines
| the index of the component in the vector of sensitivity coefficients. ``name``
| is either a species name or the name of a reactor state variable, for example
| ``'int_energy'`` or ``'temperature'``, depending on the reactor's equations.
|
| component_name(self, i)
| Returns the name of the component with index ``i`` within the array of
| variables returned by `get_state`. This is the inverse of
| `component_index`.
|
| get_state(self)
| Get the state vector of the reactor.
|
| The order of the variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| You can use the function `component_index` to determine the location of
| a specific component from its name, or `component_name` to determine the
| name from the index.
|
| set_advance_limit(self, name, limit)
| Limit absolute change of component ``name`` during `ReactorNet.advance`.
| (positive ``limit`` values are considered; negative values disable a
| previously set advance limit for a solution component). Note that
| limits are disabled by default (with individual values set to -1.).
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| chemistry_enabled
| `True` when the reactor composition is allowed to change due to
| chemical reactions in this reactor. When this is `False`, the
| reactor composition is held constant.
|
| energy_enabled
| `True` when the energy equation is being solved for this reactor.
| When this is `False`, the reactor temperature is held constant.
|
| finite_difference_jacobian
| Get the reactor-specific Jacobian, calculated using a finite difference method.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| group_name
| Optional name of a grouping of reactors that will be drawn as a cluster in the
| graphical representation using graphviz. See
| https://graphviz.org/Gallery/directed/cluster.html.
|
| .. versionadded:: 3.1
|
| jacobian
| Get the local, reactor-specific Jacobian or an approximation thereof
|
| .. warning::
|
| Depending on the particular implementation, this may return an approximate
| Jacobian intended only for use in forming a preconditioner for iterative
| solvers, excluding terms that would generate a fully-dense Jacobian.
|
| .. warning::
|
| This method is an experimental part of the Cantera API and may be
| changed or removed without notice.
|
| kinetics
| The `Kinetics` object used for calculating kinetic rates in
| this reactor.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| n_vars
| The number of state variables in the reactor.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'Reactor'
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class ReactorBase(builtins.object)
| Common base class for reactors and reservoirs.
|
| Methods defined here:
|
| __copy__(self)
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'none'
class ReactorNet(builtins.object)
| Networks of reactors. ReactorNet objects are used to simultaneously
| advance the state of one or more coupled reactors.
|
| Example:
|
| >>> r1 = Reactor(gas1)
| >>> r2 = Reactor(gas2)
| >>> <... install walls, inlets, outlets, etc...>
|
| >>> reactor_network = ReactorNet([r1, r2])
| >>> reactor_network.advance(time)
|
| Methods defined here:
|
| __copy__(self)
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__(self)
|
| add_reactor(self, r)
| Add a reactor to the network.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor net contents after instantiation
| will be disabled and this method will be removed.
|
| advance(self, t, apply_limit=True)
| Advance the state of the reactor network from the current time/distance towards
| the specified value ``t`` of the independent variable, which depends on the type
| of reactors included in the network.
|
| The integrator will take as many steps as necessary to reach ``t``. If
| ``apply_limit`` is true and an advance limit is specified, the reactor state at
| the end of the step is estimated prior to advancing. If the difference exceed
| limits, the end value is reduced by half until the projected end state remains
| within specified limits. Returns the time/distance reached at the end of
| integration.
|
| advance_to_steady_state(self, max_steps=10000, residual_threshold=0.0, atol=0.0, return_residuals=False)
| Advance the reactor network in time until steady state is reached.
|
| The steady state is defined by requiring that the state of the system
| only changes below a certain threshold. The residual is computed using
| feature scaling:
|
| .. math:: r = \left| \frac{x(t + \Delta t) - x(t)}{\text{max}(x) + \text{atol}} \right| \cdot \frac{1}{\sqrt{n_x}}
|
| :param max_steps:
| Maximum number of steps to be taken
| :param residual_threshold:
| Threshold below which the feature-scaled residual r should drop such
| that the network is defines as steady state. By default,
| residual_threshold is 10 times the solver rtol.
| :param atol:
| The smallest expected value of interest. Used for feature scaling.
| By default, this atol is identical to the solver atol.
| :param return_residuals:
| If set to `True`, this function returns the residual time series
| as a vector with length `max_steps`.
|
| component_name(self, i)
| Return the name of the i-th component of the global state vector. The
| name returned includes both the name of the reactor and the specific
| component, for example `'reactor1: CH4'`.
|
| draw(self, *, graph_attr=None, node_attr=None, edge_attr=None, heat_flow_attr=None, mass_flow_attr=None, moving_wall_edge_attr=None, surface_edge_attr=None, show_wall_velocity=True, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz.graphs.DiGraph``. Connecting flow controllers and
| walls are depicted as arrows.
|
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| ``node_attr`` defined in the reactor object itself have priority.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``edge`` (flow controllers, walls).
| ``edge_attr`` defined in the connection objects (subclasses of `FlowDevice`
| or walls) themselves have priority.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :param heat_flow_attr:
| Same as ``edge_attr`` but only applied to edges representing walls.
| Default is ``{"color": "red", "style": "dashed"}``.
| :param mass_flow_attr:
| Same as ``edge_attr`` but only applied to edges representing `FlowDevice`
| objects.
| :param moving_wall_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing wall movement.
| :param surface_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing connections
| between `ReactorSurface` objects and reactors.
| Default is ``{"style": "dotted", "arrowhead": "none"}``.
| :param show_wall_velocity:
| If ``True``, wall movement will be indicated by additional arrows with the
| corresponding wall velocity as a label.
| :param print_state:
| Whether state information of the reactors is printed into each node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor net.
|
| .. versionadded:: 3.1
|
| get_derivative(self, k)
| Get the k-th derivative of the state vector of the reactor network with respect
| to the independent integrator variable (time/distance).
|
| get_state(self)
| Get the combined state vector of the reactor network.
|
| The combined state vector consists of the concatenated state vectors of
| all entities contained.
|
| global_component_index(self, name, reactor)
| Returns the index of a component named ``name`` of a reactor with index
| ``reactor`` within the global state vector. That is, this determines the
| absolute index of the component, where ``reactor`` is the index of the
| reactor that holds the component. ``name`` is either a species name or the
| name of a reactor state variable, for example, ``'int_energy'``, ``'temperature'``, etc.
| depending on the reactor's equations.
|
| initialize(self)
| Force initialization of the integrator after initial setup.
|
| reinitialize(self)
| Reinitialize the integrator after making changing to the state of the
| system. Changes to Reactor contents will automatically trigger
| reinitialization.
|
| sensitivities(self)
| Returns the sensitivities of all of the solution variables with respect
| to all of the registered parameters. The normalized sensitivity
| coefficient :math:`S_{ki}` of the solution variable :math:`y_k` with
| respect to sensitivity parameter :math:`p_i` is defined as:
|
| .. math:: S_{ki} = \frac{p_i}{y_k} \frac{\partial y_k}{\partial p_i}
|
| For reaction sensitivities, the parameter is a multiplier on the forward
| rate constant (and implicitly on the reverse rate constant for
| reversible reactions).
|
| The sensitivities are returned in an array with dimensions *(n_vars,
| n_sensitivity_params)*, unless no integration steps have been taken, in which
| case the shape is *(0, n_sensitivity_params)*. The order of the
| variables (that is, rows) is:
|
| `Reactor` or `IdealGasReactor`:
|
| - 0 - mass
| - 1 - volume
| - 2 - internal energy or temperature
| - 3+ - mass fractions of the species
|
| `ConstPressureReactor` or `IdealGasConstPressureReactor`:
|
| - 0 - mass
| - 1 - enthalpy or temperature
| - 2+ - mass fractions of the species
|
| sensitivity(self, component, p, r=0)
| Returns the sensitivity of the solution variable ``component`` in
| reactor ``r`` with respect to the parameter ``p``. ``component`` can be a
| string or an integer. See `component_index` and `sensitivities` to
| determine the integer index for the variables and the definition of the
| resulting sensitivity coefficient. If it is not given, ``r`` defaults to
| the first reactor. Returns an empty array until the first integration step is
| taken.
|
| sensitivity_parameter_name(self, p)
| Name of the sensitivity parameter with index ``p``.
|
| solve_steady(self, loglevel=0)
| Solve directly for the steady-state solution. This approach is generally more
| efficient than time marching to the steady-state (using the
| `advance_to_steady_state` method), but imposes a few limitations:
|
| - The volume of control volume reactor types (such as `Reactor` and
| `IdealGasMoleReactor`) must be constant; no moving walls can be used.
| - The mass of constant pressure reactor types (such as `ConstPressureReactor`
| and `IdealGasConstPressureReactor`) must be constant; if flow devices are
| used, inlet and outlet flows must be balanced.
| - The solver is currently not compatible with the `ConstPressureMoleReactor` or
| `IdealGasConstPressureMoleReactor` classes.
| - Only ideal gas reactor types can be used for when the energy equation is
| disabled (fixed temperature simulations).
| - Reacting surfaces are not yet supported.
|
| :param loglevel:
| Print information about solver progress to aid in understanding
| cases where the solver fails to converge. Higher levels are more verbose.
|
| - 0: No logging.
| - 1: Basic info about each steady-state attempt and round of time stepping.
| - 2: Adds details about each time step and steady-state Newton iteration.
| - 3: Adds details about Newton iterations for each time step.
| - 4: Adds details about state variables that are limiting steady-state
| Newton step sizes.
| - 5: Adds details about state variables that are limiting time-stepping
| Newton step sizes.
| - 6: Print current state vector after different solver stages
| - 7: Print current residual vector after different solver stages
|
| Uses the hybrid time marching / damped Newton's method solver implemented by
| classes :ct:`SteadyStateSystem` and :ct:`MultiNewton`.
|
| .. versionadded:: 3.2
|
| steady_jacobian(self, rdt=0.0)
| Get the Jacobian used by the steady-state solver.
|
| :param rdt:
| Reciprocal of the pseudo-timestep [1/s]. Default of 0.0 returns the
| steady-state Jacobian.
|
| .. versionadded:: 3.2
|
| step(self)
| Take a single internal step. The time/distance after taking the step is
| returned.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| advance_limits
| Get or set absolute limits for state changes during `ReactorNet.advance`
| (positive values are considered; negative values disable a previously
| set advance limit for a solution component). Note that limits are
| disabled by default (with individual values set to -1.).
|
| atol
| The absolute error tolerance used while integrating the reactor
| equations.
|
| atol_sensitivity
| The absolute error tolerance for sensitivity analysis.
|
| derivative_settings
| Apply derivative settings to all reactors in the network.
| See also `Kinetics.derivative_settings`.
|
| distance
| The current distance [m] along the length of the reactor network, for reactors
| that are solved as a function of space.
|
| include_algebraic_in_error_test
| Get/Set whether to include algebraic variables in the in the local error test.
| Applicable only to DAE systems. The default is `True`.
|
| initial_time
| The initial time of the integrator. When set, integration is restarted from this
| time using the current state as the initial condition. Default: 0.0 s.
|
| .. versionadded:: 3.0
|
| linear_solver_type
| The type of linear solver used in integration.
|
| Options for this property include:
|
| - `"DENSE"`
| - `"GMRES"`
| - `"BAND"`
| - `"DIAG"`
|
| max_err_test_fails
| The maximum number of error test failures permitted by the CVODES integrator
| in a single step. The default is 10.
|
| max_nonlinear_convergence_failures
| Get/Set the maximum number of nonlinear solver convergence failures permitted in
| one step of the SUNDIALS integrator. The default value is 10.
|
| max_nonlinear_iterations
| Get/Set the maximum number of nonlinear solver iterations permitted by the
| SUNDIALS solver in one solve attempt. The default value is 4.
|
| max_order
| Get/Set the maximum order of the linear multistep method. The default value and
| maximum is 5.
|
| max_steps
| The maximum number of internal integration steps that CVODES
| is allowed to take before reaching the next output point.
|
| max_time_step
| Get/set the maximum time step *t* [s] that the integrator is
| allowed to use. The default value is set to zero, so that no time
| step maximum is used.
|
| n_sensitivity_params
| The number of registered sensitivity parameters.
|
| n_vars
| The number of state variables in the system. This is the sum of the
| number of variables for each `Reactor` and `Wall` in the system.
| Equal to:
|
| `Reactor` and `IdealGasReactor`: `n_species` + 3 (mass, volume,
| internal energy or temperature).
|
| `ConstPressureReactor` and `IdealGasConstPressureReactor`:
| `n_species` + 2 (mass, enthalpy or temperature).
|
| `Wall`: number of surface species
|
| preconditioner
| Preconditioner associated with integrator
|
| reactors
| List of all reactors that are part of the reactor network.
|
| .. versionadded:: 3.1
|
| rtol
| The relative error tolerance used while integrating the reactor
| equations.
|
| rtol_sensitivity
| The relative error tolerance for sensitivity analysis.
|
| solver_stats
| ODE solver stats from integrator
|
| time
| The current time [s], for reactor networks that are solved in the time domain.
|
| verbose
| If `True`, verbose debug information will be printed during
| integration. The default is `False`.
class ReactorSurface(ReactorBase)
| Represents a reacting surface in contact with the contents of one or more reactors.
|
| :param phase:
| The `Interface` object representing reactions on this surface.
| :param r:
| A `Reactor` or list of `Reactor` objects that this surface is adjacent to.
| :param clone:
| Determines whether to clone the ``phase`` object used by this reactor so
| that the internal state is independent of the original `Solution` (and any
| `Solution` objects used by other reactors in the network).
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'`` and
| changes to ``'ReactorSurface_n'`` when when associated `Reactor` objects are
| installed within a `ReactorNet`. For the latter, *n* is an integer assigned in
| the order reactor surfaces are detected.
| :param A:
| The area of the reacting surface [m²].
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw this surface.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
|
| .. versionadded:: 3.1
| Added the ``node_attr`` parameter.
|
| .. versionchanged:: 3.2
| Handle surfaces that are adjacent to multiple reactors.
|
| Added the ``clone`` parameter with the default value ``None`` indicating that
| contents will not be cloned. After Cantera 3.2, this default will change to
| be ``True``. Specify ``False`` to retain the old behavior and suppress a
| deprecation warning.
|
| Method resolution order:
| ReactorSurface
| ReactorBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, surface_edge_attr=None, print_state=False, species=None, species_units='percent')
| Draw the surface as a ``graphviz`` ``dot`` node connected to its reactor.
| The node is added to an existing ``graph`` if provided.
| Optionally include current reactor state in the reactor node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param surface_edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw the
| connection between the surface and its reactor.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into its node.
| Defaults to ``False``
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with surface and connected
| reactor.
|
| .. versionadded:: 3.1
|
| install(self, r)
| Add this `ReactorSurface` to the specified `Reactor`
|
| .. deprecated:: 3.2
| Replaced by specifying list of adjacent reactors in the `ReactorSurface`
| constructor.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| area
| Area on which reactions can occur [m²].
|
| coverages
| The fraction of sites covered by each surface species.
|
| kinetics
| The `InterfaceKinetics` object used for calculating reaction rates on
| this surface.
|
| .. deprecated:: 3.2
| Replaced by ``phase`` property.
|
| reactor
| Return the `Reactor` object the surface is connected to.
|
| .. versionadded:: 3.1
|
| reactors
| A list of of `Reactor` objects containing phases that participate in reactions
| on this surface.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'ReactorSurface'
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class Reservoir(ReactorBase)
| A reservoir is a reactor with a constant state. The temperature,
| pressure, and chemical composition in a reservoir never change from
| their initial values.
|
| Method resolution order:
| Reservoir
| ReactorBase
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| reactor_type = 'Reservoir'
|
| ----------------------------------------------------------------------
| Methods inherited from ReactorBase:
|
| __copy__(self)
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__(self)
|
| add_sensitivity_reaction(self, m)
| Specifies that the sensitivity of the state variables with respect to
| reaction ``m`` should be computed. ``m`` is the 0-based reaction index.
| The reactor must be part of a network first. Specifying the same
| reaction more than one time raises an exception.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, print_state=False, species=None, species_units='percent')
| Draw as ``graphviz`` ``dot`` node. The node is added to an existing ``graph`` if
| provided. Optionally include current reactor state in the node.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the reactor is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``.
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``node`` method invoked to draw the reactor.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param print_state:
| Whether state information of the reactor is printed into the node.
| Defaults to ``False``.
| :param species:
| If ``print_state`` is ``True``, define how species are to be printed.
| Options are ``'X'`` and ``'Y'`` for mole and mass fractions of all species,
| respectively, or an iterable that contains the desired species names as
| strings. Defaults to ``None``.
| :param species_units:
| Defines the units the species are displayed in as either ``"percent"`` or
| ``"ppm"``. Defaults to ``"percent"``.
| :return:
| ``graphviz.graphs.BaseGraph`` object with reactor
|
| .. versionadded:: 3.1
|
| insert(self, solution)
| Set ``solution`` to be the object used to compute thermodynamic
| properties and kinetic rates for this reactor.
|
| .. deprecated:: 3.2
|
| After Cantera 3.2, a change of reactor contents after instantiation
| will be disabled and this method will be removed.
|
| syncState(self)
| Set the state of the Reactor to match that of the associated
| `ThermoPhase` object. After calling syncState(), call
| ReactorNet.reinitialize() before further integration.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ReactorBase:
|
| T
| The temperature [K] of the reactor's contents.
|
| Y
| The mass fractions of the reactor's contents.
|
| density
| The density [kg/m³ or kmol/m³] of the reactor's contents.
|
| inlets
| List of flow devices installed as inlets to this reactor
|
| mass
| The mass of the reactor's contents.
|
| name
| The name of the reactor.
|
| node_attr
| A dictionary containing draw attributes for the representation of the reactor as a
| graphviz node. See https://graphviz.org/docs/nodes/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| outlets
| List of flow devices installed as outlets to this reactor
|
| phase
| The `Solution` object representing the reactor's contents.
|
| .. versionchanged:: 3.2
| Renamed from ``thermo``.
|
| surfaces
| List of reacting surfaces installed on this reactor
|
| thermo
| The `ThermoPhase` object representing the reactor's contents.
|
| .. deprecated:: 3.2
| Renamed to ``phase``
|
| type
| The type of the reactor.
|
| volume
| The volume [m³] of the reactor.
|
| walls
| List of walls installed on this reactor
class Valve(FlowDevice)
| In Cantera, a `Valve` is a flow device with mass flow rate that is a
| function of the pressure drop across it. The default behavior is linear:
|
| .. math:: \dot m = K_v*(P_1 - P_2)
|
| where :math:`K_v` is a constant set using the `valve_coeff` property.
| Note that :math:`P_1` must be greater than :math:`P_2`; otherwise,
| :math:`\dot m = 0`. However, an arbitrary function can also be specified,
| such that
|
| .. math:: \dot m = K_v*f(P_1 - P_2)
|
| where :math:`f` is the arbitrary function that multiplies :math:`K_v` given
| a single argument, the pressure differential. Further, a valve opening function
| :math:`g` may be specified using the `time_function` property, such that
|
| .. math:: \dot m = K_v*g(t)*f(P_1 - P_2)
|
| See the documentation for the `valve_coeff` property as well as the
| `pressure_function` and `time_function` properties for examples. Note that
| it is never possible for the flow to reverse and go from the downstream to the
| upstream reactor/reservoir through a line containing a `Valve` object.
|
| `Valve` objects are often used between an upstream reactor and a
| downstream reactor or reservoir to maintain them both at nearly the same
| pressure. By setting the constant :math:`K_v` to a sufficiently large
| value, very small pressure differences will result in flow between the
| reactors that counteracts the pressure difference.
|
| Method resolution order:
| Valve
| FlowDevice
| ConnectorNode
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| valve_coeff
| Set valve coefficient, that is, the proportionality constant between mass
| flow rate and pressure drop [kg/s/Pa].
|
| >>> v = Valve(res1, reactor1)
| >>> v.valve_coeff = 1e-4 # Set the value of K to a constant
| >>> v.valve_coeff # Get the value of K
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| node_type = 'Valve'
|
| ----------------------------------------------------------------------
| Methods inherited from FlowDevice:
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None)
| Draw as connection between upstream and downstream reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this flow
| controller connection.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Data descriptors inherited from FlowDevice:
|
| device_coefficient
| Device coefficient (defined by derived class).
|
| Example:
|
| >>> v = Valve(res1, reactor1)
| >>> v.device_coefficient = 1e-4 # Set the 'valve coefficient'
|
| .. versionadded:: 3.2
|
| downstream
| Return the `Reactor` or `Reservoir` object downstream of the flow device.
|
| .. versionadded:: 3.1
|
| mass_flow_rate
| Get the mass flow rate [kg/s] through this device at the current reactor
| network time.
|
| pressure_function
| The relationship between mass flow rate and the pressure drop across a flow
| device. The mass flow rate [kg/s] is calculated given the pressure drop [Pa] and
| a coefficient set by a flow device specific function. Unless a user-defined
| pressure function is provided, the function returns the pressure difference
| across the device. The calculation of mass flow rate depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.pressure_function = lambda dP: dP**2
|
| where `FlowDevice` is either a `Valve` or `PressureController` object.
|
| .. versionadded:: 3.0
|
| time_function
| The time dependence of a flow device. The mass flow rate [kg/s] is calculated
| for a Flow device, and multiplied by a function of time, which returns 1.0
| unless a user-defined function is provided. The calculation of mass flow rate
| depends on the flow device.
|
| >>> f = FlowDevice(res1, reactor1)
| >>> f.time_function = lambda t: exp(-10 * (t - 0.5)**2)
|
| where `FlowDevice` is either a `Valve` or `MassFlowController` object.
|
| .. versionadded:: 3.0
|
| upstream
| Return the `Reactor` or `Reservoir` object upstream of the flow device.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
class Wall(WallBase)
| A Wall separates two reactors, or a reactor and a reservoir. A wall has a
| finite area, may conduct or radiate heat between the two reactors on either
| side, and may move like a piston.
|
| Walls are stateless objects in Cantera, meaning that no differential
| equation is integrated to determine any wall property. Since it is the wall
| (piston) velocity that enters the energy equation, this means that it is
| the velocity, not the acceleration or displacement, that is specified.
| The wall velocity is computed from
|
| .. math:: v = K(P_{\rm left} - P_{\rm right}) + v_0(t),
|
| where :math:`K` is a non-negative constant, and :math:`v_0(t)` is a
| specified function of time. The velocity is positive if the wall is
| moving to the right.
|
| The heat flux through the wall is computed from
|
| .. math:: q = U(T_{\rm left} - T_{\rm right}) + \epsilon\sigma (T_{\rm left}^4 - T_{\rm right}^4) + q_0(t),
|
| where :math:`U` is the overall heat transfer coefficient for
| conduction/convection, and :math:`\epsilon` is the emissivity. The function
| :math:`q_0(t)` is a specified function of time. The heat flux is positive
| when heat flows from the reactor on the left to the reactor on the right.
|
| Method resolution order:
| Wall
| WallBase
| ConnectorNode
| builtins.object
|
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| emissivity
| The emissivity (nondimensional)
|
| expansion_rate_coeff
| The coefficient *K* [m/s/Pa] that determines the velocity of the wall
| as a function of the pressure difference between the adjacent reactors.
|
| heat_flux
| Heat flux [W/m²] across the wall. May be either set to a constant or
| an arbitrary function of time. See `Func1`.
|
| .. versionadded:: 3.0
|
| heat_transfer_coeff
| The overall heat transfer coefficient [W/m²/K].
|
| velocity
| The wall velocity [m/s]. May be either set to a constant or an arbitrary
| function of time. See `Func1`.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| node_type = 'Wall'
|
| ----------------------------------------------------------------------
| Methods inherited from WallBase:
|
| __init__(...)
| :param left:
| Reactor or reservoir on the left. Required.
| :param right:
| Reactor or reservoir on the right. Required.
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<wall_type>_n'`` when when associated `Reactor` objects
| are installed within a `ReactorNet`. For the latter, ``<wall_type>`` is
| the type of the wall and *n* is an integer assigned in the order walls are
| detected.
| :param A:
| Wall area [m²]. Defaults to 1.0 m².
| :param K:
| Wall expansion rate parameter [m/s/Pa]. Defaults to 0.0.
| :param U:
| Overall heat transfer coefficient [W/m²/K]. Defaults to 0.0
| (adiabatic wall).
| :param Q:
| Heat flux function :math:`q_0(t)` [W/m²]. Optional. Default:
| :math:`q_0(t) = 0.0`.
| :param velocity:
| Wall velocity function :math:`v_0(t)` [m/s].
| Default: :math:`v_0(t) = 0.0`.
| :param edge_attr:
| Attributes like ``style`` when drawn as a connecting edge using
| graphviz's dot language. Default is ``{}``.
|
| .. versionadded:: 3.1
| Added the ``edge_attr`` parameter.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None, moving_wall_edge_attr=None, show_wall_velocity=True)
| Draw as connection between left and right reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this wall
| connection.
| Default is ``{"color": "red", "style": "dashed"}``.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :param moving_wall_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing wall movement.
| Default is ``{"arrowtail": "icurveteecurve", "dir": "both",
| "style": "dotted", "arrowhead": "icurveteecurve"}``.
| :param show_wall_velocity:
| If ``True``, wall movement will be indicated by additional arrows with the
| corresponding wall velocity as a label.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Data descriptors inherited from WallBase:
|
| area
| The wall area [m²].
|
| expansion_rate
| Get the rate of volumetric change [m³/s] associated with the wall at the
| current reactor network time. A positive value corresponds to the left-hand
| reactor volume increasing, and the right-hand reactor volume decreasing.
|
| .. versionadded:: 3.0
|
| heat_rate
| Get the total heat flux [W] through the wall at the current reactor network
| time. A positive value corresponds to heat flowing from the left-hand reactor
| to the right-hand one.
|
| .. versionadded:: 3.0
|
| left_reactor
| Return the `Reactor` or `Reservoir` object left of the wall.
|
| .. versionadded:: 3.1
|
| right_reactor
| Return the `Reactor` or `Reservoir` object right of the wall.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
class WallBase(ConnectorNode)
| Common base class for walls.
|
| Method resolution order:
| WallBase
| ConnectorNode
| builtins.object
|
| Methods defined here:
|
| __init__(...)
| :param left:
| Reactor or reservoir on the left. Required.
| :param right:
| Reactor or reservoir on the right. Required.
| :param name:
| Name string. If not specified, the name initially defaults to ``'(none)'``
| and changes to ``'<wall_type>_n'`` when when associated `Reactor` objects
| are installed within a `ReactorNet`. For the latter, ``<wall_type>`` is
| the type of the wall and *n* is an integer assigned in the order walls are
| detected.
| :param A:
| Wall area [m²]. Defaults to 1.0 m².
| :param K:
| Wall expansion rate parameter [m/s/Pa]. Defaults to 0.0.
| :param U:
| Overall heat transfer coefficient [W/m²/K]. Defaults to 0.0
| (adiabatic wall).
| :param Q:
| Heat flux function :math:`q_0(t)` [W/m²]. Optional. Default:
| :math:`q_0(t) = 0.0`.
| :param velocity:
| Wall velocity function :math:`v_0(t)` [m/s].
| Default: :math:`v_0(t) = 0.0`.
| :param edge_attr:
| Attributes like ``style`` when drawn as a connecting edge using
| graphviz's dot language. Default is ``{}``.
|
| .. versionadded:: 3.1
| Added the ``edge_attr`` parameter.
|
| draw(self, graph=None, *, graph_attr=None, node_attr=None, edge_attr=None, moving_wall_edge_attr=None, show_wall_velocity=True)
| Draw as connection between left and right reactor or reservoir using
| ``graphviz``.
|
| :param graph:
| ``graphviz.graphs.BaseGraph`` object to which the connection is added.
| If not provided, a new ``DiGraph`` is created. Defaults to ``None``
| :param graph_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the general appearance of the drawn network.
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/graph/ for a list of all usable attributes.
| :param node_attr:
| Attributes to be passed to the ``graphviz.Digraph`` function that control
| the default appearance of any ``node`` (reactors, reservoirs).
| Has no effect if existing ``graph`` is provided.
| See https://graphviz.org/docs/nodes/ for a list of all usable attributes.
| :param edge_attr:
| Attributes to be passed to the ``edge`` method invoked to draw this wall
| connection.
| Default is ``{"color": "red", "style": "dashed"}``.
| See https://graphviz.org/docs/edges/ for a list of all usable attributes.
| :param moving_wall_edge_attr:
| Same as ``edge_attr`` but only applied to edges representing wall movement.
| Default is ``{"arrowtail": "icurveteecurve", "dir": "both",
| "style": "dotted", "arrowhead": "icurveteecurve"}``.
| :param show_wall_velocity:
| If ``True``, wall movement will be indicated by additional arrows with the
| corresponding wall velocity as a label.
| :return:
| A ``graphviz.graphs.BaseGraph`` object depicting the connection.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| area
| The wall area [m²].
|
| expansion_rate
| Get the rate of volumetric change [m³/s] associated with the wall at the
| current reactor network time. A positive value corresponds to the left-hand
| reactor volume increasing, and the right-hand reactor volume decreasing.
|
| .. versionadded:: 3.0
|
| heat_rate
| Get the total heat flux [W] through the wall at the current reactor network
| time. A positive value corresponds to heat flowing from the left-hand reactor
| to the right-hand one.
|
| .. versionadded:: 3.0
|
| left_reactor
| Return the `Reactor` or `Reservoir` object left of the wall.
|
| .. versionadded:: 3.1
|
| right_reactor
| Return the `Reactor` or `Reservoir` object right of the wall.
|
| .. versionadded:: 3.1
|
| ----------------------------------------------------------------------
| Methods inherited from ConnectorNode:
|
| __copy__(self)
|
| __reduce__(self)
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ConnectorNode:
|
| edge_attr
| A dictionary containing draw attributes for the representation of the `WallBase` as
| a graphviz edge. See https://graphviz.org/docs/edges/ for a list of all usable
| attributes.
|
| .. versionadded:: 3.1
|
| name
| The name of the connector.
|
| type
| The type of the connector.
|
| ----------------------------------------------------------------------
| Data and other attributes inherited from ConnectorNode:
|
| node_type = 'none'
DATA
__test__ = {'FlowDevice.device_coefficient.__get__ (line 1410)': "\n ...
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.solutionbase
Python Library Documentation: module cantera.solutionbase in cantera
NAME
cantera.solutionbase
CLASSES
builtins.object
SolutionArrayBase
class SolutionArrayBase(builtins.object)
| Class `SolutionArrayBase` serves as an interface between the C++ SolutionArray core
| class and the Python API implementation. While `SolutionArrayBase` holds shape
| information used by the derived user-facing `SolutionArray` API, it uses a flattened
| one-dimensional data structure internally.
|
| .. warning::
|
| This class is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.0
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| get_auxiliary(self, loc)
| Retrieve auxiliary data for a `SolutionArrayBase` location
|
| info(self, keys=None, rows=10, width=None, display=True)
| Display or return a concise summary of a `SolutionArray`.
|
| :param keys: List of components to be displayed; if `None`, all components are
| considered.
| :param rows: Maximum number of rendered rows.
| :param width: Maximum width of rendered output.
| :param display: If `True`, display result (default), otherwise, return a string.
|
| .. versionchanged:: 3.2
|
| Added ``display`` parameter.
|
| resize(self, size)
| Resize `SolutionArrayBase` to given size
|
| set_auxiliary(self, loc, data)
| Set auxiliary data for a `SolutionArrayBase` location
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| component_names
| Retrieve ordered list of all `SolutionArrayBase` components (defining
| thermodynamic state or auxiliary `extra` information)
|
| extra
| Retrieve ordered list of auxiliary `SolutionArrayBase` components
|
| meta
| Dictionary holding information describing the `SolutionArrayBase`.
|
| size
| The number of elements in the `SolutionArrayBase`.
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__pyx_capi__ = {'_assign_Solution': <capsule object "PyObject *(struct...
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.speciesthermo
Python Library Documentation: module cantera.speciesthermo in cantera
NAME
cantera.speciesthermo
CLASSES
builtins.object
SpeciesThermo
ConstantCp
Mu0Poly
Nasa9PolyMultiTempRegion
NasaPoly2
ShomatePoly2
class ConstantCp(SpeciesThermo)
| Thermodynamic properties for a species that has a constant specific heat
| capacity. This is a wrapper for the C++ class :ct:`ConstCpPoly`.
|
| :param coeffs:
| An array of 4 elements:
|
| - `coeffs[0]` = :math:`T_0` [K]
| - `coeffs[1]` = :math:`H^o(T_0, p_{ref})` [J/kmol]
| - `coeffs[2]` = :math:`S^o(T_0, p_{ref})` [J/kmol-K]
| - `coeffs[3]` = :math:`c_p^o(T_0, p_{ref})` [J/kmol-K]
|
| Method resolution order:
| ConstantCp
| SpeciesThermo
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| derived_type = 1
|
| ----------------------------------------------------------------------
| Methods inherited from SpeciesThermo:
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| cp(self, T)
| Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*.
|
| h(self, T)
| Molar enthalpy [J/kmol] at temperature *T*
|
| s(self, T)
| Molar entropy [J/kmol/K] at temperature *T*
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SpeciesThermo:
|
| coeffs
| Array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| input_data
| Get input data defining this SpeciesThermo object, along with any user-specified
| data provided with its input (YAML) definition.
|
| max_temp
| Maximum temperature [K] at which the parameterization is valid.
|
| min_temp
| Minimum temperature [K] at which the parameterization is valid.
|
| n_coeffs
| Number of parameters for the parameterization.
|
| reference_pressure
| Reference pressure [Pa] for the parameterization.
class Mu0Poly(SpeciesThermo)
| Thermodynamic properties for a species which is parameterized using an
| interpolation of the Gibbs free energy based on a piecewise constant heat
| capacity approximation. This is a wrapper for the C++ class :ct:`Mu0Poly`.
|
| :param coeffs:
| An array of `2 + 2*npoints` elements, in the following order:
|
| - `coeffs[0]`: number of points (integer)
| - `coeffs[1]`: h^o(298.15 K) [J/kmol]
| - `coeffs[2]`: T_1 [Kelvin]
| - `coeffs[3]`: \mu^o(T_1) [J/kmol]
| - `coeffs[4]`: T_2 [Kelvin]
| - `coeffs[5]`: \mu^o(T_2) [J/kmol]
| - ...
|
| Method resolution order:
| Mu0Poly
| SpeciesThermo
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| derived_type = 64
|
| ----------------------------------------------------------------------
| Methods inherited from SpeciesThermo:
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| cp(self, T)
| Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*.
|
| h(self, T)
| Molar enthalpy [J/kmol] at temperature *T*
|
| s(self, T)
| Molar entropy [J/kmol/K] at temperature *T*
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SpeciesThermo:
|
| coeffs
| Array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| input_data
| Get input data defining this SpeciesThermo object, along with any user-specified
| data provided with its input (YAML) definition.
|
| max_temp
| Maximum temperature [K] at which the parameterization is valid.
|
| min_temp
| Minimum temperature [K] at which the parameterization is valid.
|
| n_coeffs
| Number of parameters for the parameterization.
|
| reference_pressure
| Reference pressure [Pa] for the parameterization.
class Nasa9PolyMultiTempRegion(SpeciesThermo)
| Thermodynamic properties for a species which is parameterized using the
| 9-coefficient NASA polynomial form encompassing multiple temperature ranges.
| This is a wrapper for the C++ class :ct:`Nasa9PolyMultiTempRegion`.
|
| :param coeffs:
| An array of `1 + 11*nzones` elements, in the following order:
|
| - `coeffs[0]`: Number of zones (`nzones`)
| - `coeffs[1 + 11*zone]`: minimum temperature within zone
| - `coeffs[2 + 11*zone]`: maximum temperature within zone
| - `coeffs[3:11 + 11*zone]`: 9 coefficients of the parameterization
|
| where `zone` runs from zero to `nzones-1`.
|
| Method resolution order:
| Nasa9PolyMultiTempRegion
| SpeciesThermo
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| derived_type = 513
|
| ----------------------------------------------------------------------
| Methods inherited from SpeciesThermo:
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| cp(self, T)
| Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*.
|
| h(self, T)
| Molar enthalpy [J/kmol] at temperature *T*
|
| s(self, T)
| Molar entropy [J/kmol/K] at temperature *T*
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SpeciesThermo:
|
| coeffs
| Array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| input_data
| Get input data defining this SpeciesThermo object, along with any user-specified
| data provided with its input (YAML) definition.
|
| max_temp
| Maximum temperature [K] at which the parameterization is valid.
|
| min_temp
| Minimum temperature [K] at which the parameterization is valid.
|
| n_coeffs
| Number of parameters for the parameterization.
|
| reference_pressure
| Reference pressure [Pa] for the parameterization.
class NasaPoly2(SpeciesThermo)
| Thermodynamic properties for a species which is parameterized using the
| 7-coefficient NASA polynomial form in two temperature ranges. This is a
| wrapper for the C++ class :ct:`NasaPoly2`.
|
| :param coeffs:
| An array of 15 elements, in the following order:
|
| - `coeffs[0]`: The mid-point temperature [K] between the two
| parameterizations
| - `coeffs[1:8]`: The 7 coefficients of the high-temperature
| parameterization
| - `coeffs[8:15]`: The 7 coefficients of the low-temperature
| parameterization
|
| This is the coefficient order used in the standard fixed-format NASA
| input files.
|
| Method resolution order:
| NasaPoly2
| SpeciesThermo
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| derived_type = 4
|
| ----------------------------------------------------------------------
| Methods inherited from SpeciesThermo:
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| cp(self, T)
| Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*.
|
| h(self, T)
| Molar enthalpy [J/kmol] at temperature *T*
|
| s(self, T)
| Molar entropy [J/kmol/K] at temperature *T*
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SpeciesThermo:
|
| coeffs
| Array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| input_data
| Get input data defining this SpeciesThermo object, along with any user-specified
| data provided with its input (YAML) definition.
|
| max_temp
| Maximum temperature [K] at which the parameterization is valid.
|
| min_temp
| Minimum temperature [K] at which the parameterization is valid.
|
| n_coeffs
| Number of parameters for the parameterization.
|
| reference_pressure
| Reference pressure [Pa] for the parameterization.
class ShomatePoly2(SpeciesThermo)
| Thermodynamic properties for a species which is parameterized using the
| Shomate equation in two temperature ranges. This is a wrapper for the C++
| class :ct:`ShomatePoly2`.
|
| :param coeffs:
| An array of 15 elements, in the following order:
|
| - `coeffs[0]`: The mid-point temperature [K] between the two
| parameterizations
| - `coeffs[1:8]`: The 7 coefficients of the low-temperature
| parameterization
| - `coeffs[8:15]`: The 7 coefficients of the high-temperature
| parameterization
|
| These coefficients should be provided in their customary units (that is,
| such that :math:`c_p^o` is in J/gmol-K and :math:`H^o` is in kJ/gmol,
| as in the NIST Chemistry WebBook).
|
| Method resolution order:
| ShomatePoly2
| SpeciesThermo
| builtins.object
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| derived_type = 8
|
| ----------------------------------------------------------------------
| Methods inherited from SpeciesThermo:
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| cp(self, T)
| Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*.
|
| h(self, T)
| Molar enthalpy [J/kmol] at temperature *T*
|
| s(self, T)
| Molar entropy [J/kmol/K] at temperature *T*
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from SpeciesThermo:
|
| coeffs
| Array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| input_data
| Get input data defining this SpeciesThermo object, along with any user-specified
| data provided with its input (YAML) definition.
|
| max_temp
| Maximum temperature [K] at which the parameterization is valid.
|
| min_temp
| Minimum temperature [K] at which the parameterization is valid.
|
| n_coeffs
| Number of parameters for the parameterization.
|
| reference_pressure
| Reference pressure [Pa] for the parameterization.
class SpeciesThermo(builtins.object)
| Base class for representing the reference-state thermodynamic properties of
| a pure species. These properties are a function of temperature. Derived
| classes implement a parameterization of this temperature dependence. This is
| a wrapper for the C++ class :ct:`SpeciesThermoInterpType`.
|
| :param T_low:
| The minimum temperature [K] at which the parameterization is valid
| :param T_high:
| The maximum temperature [K] at which the parameterization is valid
| :param P_ref:
| The reference pressure [Pa] for the parameterization
| :param coeffs:
| An array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| cp(self, T)
| Molar heat capacity at constant pressure [J/kmol/K] at temperature *T*.
|
| h(self, T)
| Molar enthalpy [J/kmol] at temperature *T*
|
| s(self, T)
| Molar entropy [J/kmol/K] at temperature *T*
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| coeffs
| Array of coefficients for the parameterization. The length of this
| array and the meaning of each element depends on the specific
| parameterization.
|
| input_data
| Get input data defining this SpeciesThermo object, along with any user-specified
| data provided with its input (YAML) definition.
|
| max_temp
| Maximum temperature [K] at which the parameterization is valid.
|
| min_temp
| Minimum temperature [K] at which the parameterization is valid.
|
| n_coeffs
| Number of parameters for the parameterization.
|
| reference_pressure
| Reference pressure [Pa] for the parameterization.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__pyx_capi__ = {'wrapSpeciesThermo': <capsule object "PyObject *(std::...
__test__ = {}
gas_constant = 8314.46261815324
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.stefan_boltzmann
Python Library Documentation: float object
class float(object)
| float(x=0, /)
|
| Convert a string or number to a floating-point number, if possible.
|
| Methods defined here:
|
| __abs__(self, /)
| abs(self)
|
| __add__(self, value, /)
| Return self+value.
|
| __bool__(self, /)
| True if self else False
|
| __ceil__(self, /)
| Return the ceiling as an Integral.
|
| __divmod__(self, value, /)
| Return divmod(self, value).
|
| __eq__(self, value, /)
| Return self==value.
|
| __float__(self, /)
| float(self)
|
| __floor__(self, /)
| Return the floor as an Integral.
|
| __floordiv__(self, value, /)
| Return self//value.
|
| __format__(self, format_spec, /)
| Formats the float according to format_spec.
|
| __ge__(self, value, /)
| Return self>=value.
|
| __getnewargs__(self, /)
|
| __gt__(self, value, /)
| Return self>value.
|
| __hash__(self, /)
| Return hash(self).
|
| __int__(self, /)
| int(self)
|
| __le__(self, value, /)
| Return self<=value.
|
| __lt__(self, value, /)
| Return self<value.
|
| __mod__(self, value, /)
| Return self%value.
|
| __mul__(self, value, /)
| Return self*value.
|
| __ne__(self, value, /)
| Return self!=value.
|
| __neg__(self, /)
| -self
|
| __pos__(self, /)
| +self
|
| __pow__(self, value, mod=None, /)
| Return pow(self, value, mod).
|
| __radd__(self, value, /)
| Return value+self.
|
| __rdivmod__(self, value, /)
| Return divmod(value, self).
|
| __repr__(self, /)
| Return repr(self).
|
| __rfloordiv__(self, value, /)
| Return value//self.
|
| __rmod__(self, value, /)
| Return value%self.
|
| __rmul__(self, value, /)
| Return value*self.
|
| __round__(self, ndigits=None, /)
| Return the Integral closest to x, rounding half toward even.
|
| When an argument is passed, work like built-in round(x, ndigits).
|
| __rpow__(self, value, mod=None, /)
| Return pow(value, self, mod).
|
| __rsub__(self, value, /)
| Return value-self.
|
| __rtruediv__(self, value, /)
| Return value/self.
|
| __sub__(self, value, /)
| Return self-value.
|
| __truediv__(self, value, /)
| Return self/value.
|
| __trunc__(self, /)
| Return the Integral closest to x between 0 and x.
|
| as_integer_ratio(self, /)
| Return a pair of integers, whose ratio is exactly equal to the original float.
|
| The ratio is in lowest terms and has a positive denominator. Raise
| OverflowError on infinities and a ValueError on NaNs.
|
| >>> (10.0).as_integer_ratio()
| (10, 1)
| >>> (0.0).as_integer_ratio()
| (0, 1)
| >>> (-.25).as_integer_ratio()
| (-1, 4)
|
| conjugate(self, /)
| Return self, the complex conjugate of any float.
|
| hex(self, /)
| Return a hexadecimal representation of a floating-point number.
|
| >>> (-0.1).hex()
| '-0x1.999999999999ap-4'
| >>> 3.14159.hex()
| '0x1.921f9f01b866ep+1'
|
| is_integer(self, /)
| Return True if the float is an integer.
|
| ----------------------------------------------------------------------
| Class methods defined here:
|
| __getformat__(typestr, /)
| You probably don't want to use this function.
|
| typestr
| Must be 'double' or 'float'.
|
| It exists mainly to be used in Python's test suite.
|
| This function returns whichever of 'unknown', 'IEEE, big-endian' or 'IEEE,
| little-endian' best describes the format of floating-point numbers used by the
| C type named by typestr.
|
| fromhex(string, /)
| Create a floating-point number from a hexadecimal string.
|
| >>> float.fromhex('0x1.ffffp10')
| 2047.984375
| >>> float.fromhex('-0x1p-1074')
| -5e-324
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| imag
| the imaginary part of a complex number
|
| real
| the real part of a complex number
cantera.suppress_deprecation_warnings
Python Library Documentation: cython_function_or_method in module cantera._utils suppress_deprecation_warnings()
cantera.suppress_thermo_warnings
Python Library Documentation: cython_function_or_method in module cantera._utils suppress_thermo_warnings(suppress=True)
cantera.thermo
Python Library Documentation: module cantera.thermo in cantera
NAME
cantera.thermo
CLASSES
builtins.Exception(builtins.BaseException)
ThermoModelMethodError
builtins.object
Element
Species
cantera.solutionbase._SolutionBase(builtins.object)
ThermoPhase
InterfacePhase
PureFluid
class Element(builtins.object)
| Element(arg)
|
| An element or a named isotope defined in Cantera.
|
| Class `Element` gets data for the elements and isotopes defined in
| :ct:`Elements.cpp`. This class can be used in two ways. The
| first way is to get information about all of the elements stored in
| Cantera. The three attributes `num_elements_defined`,
| `element_symbols`, and `element_names` can be accessed by::
|
| >>> ct.Element.num_elements_defined
| >>> ct.Element.element_symbols
| >>> ct.Element.element_names
|
| Otherwise, if the class `Element` is called with an argument, it
| stores the data about that particular element. For example::
|
| >>> ar_sym = ct.Element('Ar')
| >>> ar_name = ct.Element('argon')
| >>> ar_num = ct.Element(18)
|
| would all create instances with the information for argon. The
| available argument options to create an instance of the `Element`
| class with the element information are the `name`, `symbol`, and
| `atomic_number`. Once an instance of the class is made, the `name`,
| `atomic_number`, `symbol`, and atomic `weight` can be accessed as
| attributes of the instance of the `Element` class.
|
| >>> ar_sym.name
| 'argon'
| >>> ar_sym.weight
| 39.948
| >>> ar_sym.atomic_number
| 18
| >>> ar_sym.symbol
| 'Ar'
|
| The elements available are listed below, in the `element_symbols`
| and `element_names` attribute documentation.
|
| Methods defined here:
|
| __init__(self, arg)
|
| ----------------------------------------------------------------------
| Readonly properties defined here:
|
| atomic_number
| The atomic number of the element or isotope.
|
| name
| The name of the element or isotope.
|
| symbol
| The symbol of the element or isotope.
|
| weight
| The atomic weight of the element or isotope.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| __dict__
| dictionary for instance variables
|
| __weakref__
| list of weak references to the object
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| element_names = ('hydrogen', 'helium', 'lithium', 'beryllium', 'boron'...
|
| element_symbols = ('H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne...
|
| num_elements_defined = 118
class InterfacePhase(ThermoPhase)
| A class representing a surface, edge phase
|
| Method resolution order:
| InterfacePhase
| ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| set_unnormalized_coverages(self, cov)
| Set the surface coverages without normalizing to force sum(cov) == 1.0.
| Useful primarily when calculating derivatives with respect to cov[k] by
| finite difference.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| adjacent
| A dictionary containing higher-dimensional phases adjacent to this interface,
| for example bulk phases adjacent to a surface.
|
| coverages
| Get/Set the fraction of sites covered by each species.
|
| site_density
| Get/Set the site density. [kmol/m²] for surface phases; [kmol/m] for
| edge phases.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
class PureFluid(ThermoPhase)
| A pure substance that can be a gas, a liquid, a mixed gas-liquid fluid,
| or a fluid beyond its critical point.
|
| Method resolution order:
| PureFluid
| ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| DPQ
| Get the density [kg/m³], pressure [Pa], and vapor fraction.
|
| HPQ
| Get the enthalpy [J/kg or J/kmol], pressure [Pa] and vapor fraction.
|
| PQ
| Get/Set the pressure [Pa] and vapor fraction of a two-phase state.
|
| PV
| Get/Set the pressure [Pa] and specific volume [m³/kg] of a PureFluid.
|
| Q
| Get/Set vapor fraction (quality). Can be set only when in the two-phase
| region.
|
| SH
| Get/Set the specific entropy [J/kg/K] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| SPQ
| Get the entropy [J/kg/K or J/kmol/K], pressure [Pa], and vapor fraction.
|
| ST
| Get/Set the entropy [J/kg/K] and temperature [K] of a PureFluid.
|
| SVQ
| Get the entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or
| m³/kmol], and vapor fraction.
|
| TDQ
| Get the temperature [K], density [kg/m³ or kmol/m³], and vapor fraction.
|
| TH
| Get/Set the temperature [K] and the specific enthalpy [J/kg]
| of a PureFluid.
|
| TPQ
| Get/Set the temperature [K], pressure [Pa], and vapor fraction of a
| PureFluid.
|
| An Exception is raised if the thermodynamic state is not consistent.
|
| TQ
| Get/Set the temperature [K] and vapor fraction of a two-phase state.
|
| TV
| Get/Set the temperature [K] and specific volume [m³/kg] of a PureFluid.
|
| UP
| Get/Set the specific internal energy [J/kg] and the
| pressure [Pa] of a PureFluid.
|
| UVQ
| Get the internal energy [J/kg or J/kmol], specific volume
| [m³/kg or m³/kmol], and vapor fraction.
|
| VH
| Get/Set the specific volume [m³/kg] and the specific
| enthalpy [J/kg] of a PureFluid.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from ThermoPhase:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Data descriptors inherited from ThermoPhase:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
class Species(builtins.object)
| A class which stores data about a single chemical species that may be
| needed to add it to a `Solution` or `Interface` object (and to the
| underlying `ThermoPhase` and `Transport` objects).
|
| :param name:
| A string giving the name of the species, such as ``'CH4'``
| :param composition:
| The elemental composition of the species, given either as a dict or a
| composition string, such as ``{'C':1, 'H':4}`` or ``'C:1, H:4'``.
| :param charge:
| The electrical charge, in units of the elementary charge. Default 0.0.
| :param size:
| The effective size [m] of the species. Default 1.0.
| :param init:
| Used internally when wrapping :ct:`Species` objects returned from C++
|
| Example: creating an ideal gas phase with a single species::
|
| ch4 = ct.Species('CH4', 'C:1, H:4')
| ch4.thermo = ct.ConstantCp(300, 1000, 101325,
| (300, -7.453347e7, 1.865912e5, 3.576053e4))
| tran = ct.GasTransportData()
| tran.set_customary_units('nonlinear', 3.75, 141.40, 0.0, 2.60, 13.00)
| ch4.transport = tran
| gas = ct.Solution(thermo='ideal-gas', species=[ch4])
|
| The static methods `list_from_file` and `list_from_yaml` can be used to create
| `Species` objects from existing definitions in the YAML format. Either of the
| following will produce a list of 53 `Species` objects containing the species defined
| in the GRI 3.0 mechanism::
|
| S = ct.Species.list_from_file("gri30.yaml")
|
| import pathlib
| S = ct.Species.list_from_yaml(
| pathlib.Path('path/to/gri30.yaml').read_text(),
| section='species')
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| from_dict(data)
| Create a `Species` object from a dictionary corresponding to its YAML
| representation.
|
| :param data:
| A dictionary corresponding to the YAML representation.
|
| from_yaml(text)
| Create a `Species` object from its YAML string representation.
|
| list_from_file(filename, section='species')
| Create a list of Species objects from all of the species defined in the section
| ``section`` of a YAML file. Directories on Cantera's input file path will be
| searched for the specified file.
|
| list_from_yaml(text, section=None)
| Create a list of Species objects from all the species defined in a YAML
| string. If ``text`` is a YAML mapping, the ``section`` name of the list
| to be read must be specified. If ``text`` is a YAML list, no ``section``
| name should be supplied.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| charge
| The electrical charge on the species, in units of the elementary charge.
|
| composition
| A dict containing the elemental composition of the species. Keys are
| element names; values are the corresponding atomicities.
|
| input_data
| Get input data defining this Species, along with any user-specified data
| provided with its input (YAML) definition.
|
| molecular_weight
| The molecular weight [amu] of the species.
|
| .. versionadded:: 3.0
|
| name
| The name of the species.
|
| size
| The effective size [m] of the species.
|
| thermo
| Get/Set the species reference-state thermodynamic data, as an instance
| of class `SpeciesThermo`.
|
| transport
| Get/Set the species transport parameters, as an instance of class
| `GasTransportData`.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class ThermoModelMethodError(builtins.Exception)
| ThermoModelMethodError(thermo_model)
|
| Exception raised for an invalid method used by a thermo model
|
| :param thermo_model:
| The thermo model used by class `ThermoPhase`
|
| Method resolution order:
| ThermoModelMethodError
| builtins.Exception
| builtins.BaseException
| builtins.object
|
| Methods defined here:
|
| __init__(self, thermo_model)
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| __weakref__
| list of weak references to the object
|
| ----------------------------------------------------------------------
| Static methods inherited from builtins.Exception:
|
| __new__(*args, **kwargs) class method of builtins.Exception
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Methods inherited from builtins.BaseException:
|
| __getattribute__(self, name, /)
| Return getattr(self, name).
|
| __reduce__(...)
| Helper for pickle.
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__(...)
|
| __str__(self, /)
| Return str(self).
|
| add_note(...)
| Exception.add_note(note) --
| add a note to the exception
|
| with_traceback(...)
| Exception.with_traceback(tb) --
| set self.__traceback__ to tb and return self.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from builtins.BaseException:
|
| __cause__
| exception cause
|
| __context__
| exception context
|
| __dict__
|
| __suppress_context__
|
| __traceback__
|
| args
class ThermoPhase(cantera.solutionbase._SolutionBase)
| A phase with an equation of state.
|
| Class `ThermoPhase` may be used to represent the intensive thermodynamic
| state of a phase of matter, which might be a gas, liquid, or solid.
|
| Class `ThermoPhase` is not usually instantiated directly. It is used
| as a base class for classes `Solution` and `Interface`.
|
| Method resolution order:
| ThermoPhase
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __call__(self, /, *args, **kwargs)
| Call self as a function.
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| add_species(self, species)
| Add a new species to this phase. Missing elements will be added
| automatically.
|
| add_species_alias(self, name, alias)
| Add the alternate species name ``alias`` for an original species ``name``.
|
| atomic_weight(self, m)
| Atomic weight [kg/kmol] of element ``m``
|
| element_index(self, element)
| The index of element ``element``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such element is present, an exception is thrown.
|
| element_name(self, m)
| Name of the element with index ``m``.
|
| elemental_mass_fraction(self, m)
| Get the elemental mass fraction :math:`Z_{\mathrm{mass},m}` of element
| :math:`m` as defined by:
|
| .. math:: Z_{\mathrm{mass},m} = \sum_k \frac{a_{m,k} M_m}{M_k} Y_k
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`M_m` the atomic weight of element :math:`m`,
| :math:`M_k` the molecular weight of species :math:`k`, and :math:`Y_k`
| the mass fraction of species :math:`k`::
|
| >>> phase.elemental_mass_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| elemental_mole_fraction(self, m)
| Get the elemental mole fraction :math:`Z_{\mathrm{mole},m}` of element
| :math:`m` (the number of atoms of element m divided by the total number
| of atoms) as defined by:
|
| .. math:: Z_{\mathrm{mole},m} = \frac{\sum_k a_{m,k} X_k}
| {\sum_k \sum_j a_{j,k} X_k}
|
| with :math:`a_{m,k}` being the number of atoms of element :math:`m` in
| species :math:`k`, :math:`\sum_j` being a sum over all elements, and
| :math:`X_k` being the mole fraction of species :math:`k`::
|
| >>> phase.elemental_mole_fraction('H')
| 1.0
|
| :param m:
| Base element, may be specified by name or by index.
|
| equilibrate(self, XY, solver='auto', rtol=1e-09, max_steps=1000, max_iter=100, estimate_equil=0, log_level=0)
| Set to a state of chemical equilibrium holding property pair
| ``XY`` constant.
|
| :param XY:
| A two-letter string, which must be one of the set::
|
| ['TP','TV','HP','SP','SV','UV']
|
| :param solver:
| Specifies the equilibrium solver to use. May be one of the following:
|
| * ``'element_potential'`` - a fast solver using the element potential
| method
| * ``'gibbs'`` - a slower but more robust Gibbs minimization solver
| * ``'vcs'`` - the VCS non-ideal equilibrium solver
| * ``'auto'`` - The element potential solver will be tried first, then
| if it fails the Gibbs solver will be tried.
| :param rtol:
| The relative error tolerance.
| :param max_steps:
| The maximum number of steps in composition to take to find a converged
| solution.
| :param max_iter:
| For the Gibbs minimization solver, this specifies the number of
| outer iterations on T or P when some property pair other
| than TP is specified.
| :param estimate_equil:
| Integer indicating whether the solver should estimate its own
| initial condition. If 0, the initial mole fraction vector in the
| `ThermoPhase` object is used as the initial condition. If 1, the
| initial mole fraction vector is used if the element abundances are
| satisfied. If -1, the initial mole fraction vector is thrown out,
| and an estimate is formulated.
| :param log_level:
| Set to a value greater than 0 to write diagnostic output.
|
| equivalence_ratio(self, fuel=None, oxidizer=None, basis='mole', include_species=None)
| Get the equivalence ratio :math:`\phi` of the current mixture, which is a
| conserved quantity. Considers the oxidation of C to CO2, H to H2O
| and S to SO2. Other elements are assumed not to participate in oxidation
| (that is, N ends up as N2). If fuel and oxidizer are not specified, the
| equivalence ratio is computed from the available oxygen and the
| required oxygen for complete oxidation:
|
| .. math:: \phi = \frac{Z_{\mathrm{mole},C} + Z_{\mathrm{mole},S}
| + \frac{1}{4}Z_{\mathrm{mole},H}} {\frac{1}{2}Z_{\mathrm{mole},O}}
|
| where :math:`Z_{\mathrm{mole},e}` is the elemental mole fraction of element
| :math:`e`. If the fuel and oxidizer compositions are specified, :math:`\phi` is
| computed from:
|
| .. math:: \phi = \frac{Z}{1-Z}\frac{1-Z_{\mathrm{st}}}{Z_{\mathrm{st}}}
|
| where :math:`Z` is the Bilger mixture fraction and :math:`Z_{\mathrm{st}}`
| the Bilger mixture fraction at stoichiometric conditions.
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis='mole'`` (default) means mole fractions, ``basis='mass'`` means
| mass fractions. Note that this definition takes all species into account.
| In case certain species like inert diluents should be ignored, a
| list of species can be provided with ``include_species``. This means that
| only these species are considered for the computation of the equivalence
| ratio. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| >>> gas.equivalence_ratio(fuel='CH3:0.5, CH3OH:.5, N2:0.125', oxidizer='O2:0.21, N2:0.79, NO:0.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole fractions
| (``basis="mole"``) or mass fractions (``basis="mass"``)
| :param include_species:
| List of species names (optional). Only these species are considered for the
| computation of the equivalence ratio. By default, all species are considered
|
| find_isomers(self, comp)
| Find species/isomers matching a composition specified by ``comp``.
|
| mass_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mass fraction for each species by name where the
| mass fraction is greater than ``threshold``.
|
| mixture_fraction(self, fuel, oxidizer, basis='mole', element='Bilger')
| Get the mixture fraction of the current mixture in
| (kg fuel / (kg oxidizer + kg fuel)). This is a quantity that is conserved after
| oxidation. Considers the oxidation of C to CO2, H to H2O and S to SO2. Other
| elements are assumed not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer:
| ``basis="mole"`` (default) means mole fractions, ``basis="mass"`` means mass
| fractions. The mixture fraction can be computed from a single element (for
| example, carbon with ``element="C"``)
|
| .. math:: Z_m = \frac{Z_{\mathrm{mass},m}-Z_{\mathrm{mass},m,\mathrm{ox}}}
| {Z_{\mathrm{mass},\mathrm{fuel}}-Z_{\mathrm{mass},m,\mathrm{ox}}}
|
| where :math:`Z_{\mathrm{mass},m}` is the elemental mass fraction of
| element :math:`m` in the mixture, and :math:`Z_{\mathrm{mass},m,\mathrm{ox}}`
| and :math:`Z_{\mathrm{mass},\mathrm{fuel}}` are the elemental mass fractions of
| the oxidizer and fuel, or from the Bilger mixture fraction
| (``element="Bilger"``), which considers the elements C, S, H and O
| :cite:p:`bilger1979`. The Bilger mixture fraction is computed by default:
|
| .. math:: Z_m = Z_{\mathrm{Bilger}} = \frac{\beta-\beta_{\mathrm{ox}}}
| {\beta_{\mathrm{fuel}}-\beta_{\mathrm{ox}}}
|
| with
|
| .. math:: \beta = 2\frac{Z_C}{M_C}+2\frac{Z_S}{M_S}+\frac{1}{2}\frac{Z_H}{M_H}
| - \frac{Z_O}{M_O}
|
| and :math:`M_m` the atomic weight of element :math:`m`.
| For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.mixture_fraction('CH3:0.5, CH3OH:0.5, N2:0.125', 'O2:0.21, N2:0.79, NO:.01')
| 0.5
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
| :param element:
| Computes the mixture fraction from the specified elemental
| mass fraction (given by element name or element index) or as
| the Bilger mixture fraction (default)
|
| modify_species(self, k, species)
| Modify the thermodynamic data associated with a species. The species name,
| elemental composition, and type of thermo parameterization must be unchanged.
|
| mole_fraction_dict(self, threshold=0.0)
| Return a dictionary giving the mole fraction for each species by name where the
| mole fraction is greater than ``threshold``.
|
| n_atoms(self, species, element)
| Number of atoms of element ``element`` in species ``species``. The element
| and species may be specified by name or by index.
|
| >>> phase.n_atoms('CH4','H')
| 4
|
| report(self, show_thermo=True, threshold=1e-14)
| Generate a report describing the thermodynamic state of this phase. To
| print the report to the terminal, simply call the phase object. The
| following two statements are equivalent::
|
| >>> phase()
| >>> print(phase.report())
|
| :param show_thermo:
| A Boolean argument specifying whether to show phase thermodynamic
| information in the output.
| :param threshold:
| The threshold used to clip data in the output. Values below the threshold
| are not displayed.
|
| set_discretized_electron_energy_distribution(self, levels, distribution)
| Set electron energy distribution. When this method is used, electron
| temperature is calculated from the distribution.
|
| :param levels:
| vector of electron energy levels [eV]
| :param distribution:
| vector of distribution
|
| set_equivalence_ratio(self, phi, fuel, oxidizer, basis='mole', *, diluent=None, fraction=None)
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified equivalence ratio ``phi``, holding temperature and pressure
| constant. Considers the oxidation of C to CO2, H to H2O and S to SO2.
| Other elements are assumed not to participate in oxidation (that is,
| N ends up as N2). The ``basis`` determines the fuel and oxidizer
| compositions: ``basis='mole'`` means mole fractions (default),
| ``basis='mass'`` means mass fractions. The fuel/oxidizer mixture can be
| be diluted by a ``diluent`` based on a mixing ``fraction``. The amount of
| diluent is quantified as a fraction of fuel, oxidizer or the fuel/oxidizer
| mixture. For more information, see the :doc:`Python example
| </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_equivalence_ratio(0.5, 'CH4', 'O2:1.0, N2:3.76', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.02837633052851, 'N2': 0.7452356312613, 'O2': 0.22638803821018}
| >>> gas.set_equivalence_ratio(1.2, 'NH3:0.8,CO:0.2', 'O2:1', basis='mole')
| >>> gas.mass_fraction_dict()
| {'CO': 0.14784006249290, 'NH3': 0.35956645545401, 'O2': 0.49259348205308}
|
| :param phi:
| Equivalence ratio
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``).
| :param diluent:
| Optional parameter. Required if dilution is used. Specifies the composition
| of the diluent in mole/mass fractions as a string, array or dict.
| :param fraction:
| Optional parameter. Dilutes the fuel/oxidizer mixture with the diluent
| according to ``fraction``. Fraction can refer to the fraction of diluent in
| the mixture (for example ``fraction="diluent:0.7"`` will create a mixture
| with 30 % fuel/oxidizer and 70 % diluent), the fraction of fuel in the
| mixture (for example ``fraction="fuel:0.1"`` means that the mixture contains
| 10 % fuel. The amount of oxidizer is determined from the equivalence ratio
| and the remaining mixture is the diluent) or fraction of oxidizer in the
| mixture (for example ``fraction="oxidizer:0.1"``). The fraction itself is
| interpreted as mole or mass fraction based on ``basis``. The diluent is not
| considered in the computation of the equivalence ratio. Default is no
| dilution or ``fraction=None``. May be given as string or dictionary (for
| example ``fraction={"fuel":0.7}``).
|
| set_mixture_fraction(self, mixture_fraction, fuel, oxidizer, basis='mole')
| Set the composition to a mixture of ``fuel`` and ``oxidizer`` at the
| specified mixture fraction ``mixture_fraction`` (kg fuel / kg mixture), holding
| temperature and pressure constant. Considers the oxidation of C to CO2,
| H to H2O and S to SO2. Other elements are assumed not to participate in
| oxidation (that is, N ends up as N2). The ``basis`` determines the composition
| of fuel and oxidizer: ``basis='mole'`` (default) means mole fractions,
| ``basis='mass'`` means mass fractions. For more information, see the
| :doc:`Python example </examples/python/thermo/equivalenceRatio>` ::
|
| >>> gas.set_mixture_fraction(0.5, 'CH4', 'O2:1.0, N2:3.76')
| >>> gas.mass_fraction_dict()
| {'CH4': 0.5, 'N2': 0.38350014242997776, 'O2': 0.11649985757002226}
| >>> gas.set_mixture_fraction(0.5, {'NH3':0.8, 'CO':0.2}, 'O2:1.0')
| >>> gas.mass_fraction_dict()
| {'CO': 0.145682068778996, 'NH3': 0.354317931221004, 'O2': 0.5}
|
| :param mixture_fraction:
| Mixture fraction (kg fuel / kg mixture)
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis: determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| set_unnormalized_mass_fractions(self, Y)
| Set the mass fractions without normalizing to force ``sum(Y) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``Y[k]`` by
| finite difference.
|
| set_unnormalized_mole_fractions(self, X)
| Set the mole fractions without normalizing to force ``sum(X) == 1.0``.
| Useful primarily when calculating derivatives with respect to ``X[k]``
| by finite difference.
|
| species(self, k=None)
| Return the `Species` object for species ``k``, where ``k`` is either the
| species index or the species name. If ``k`` is not specified, a list of
| all species objects is returned. Changes to this object do not affect
| the `ThermoPhase` or `Solution` object until the `modify_species`
| function is called.
|
| species_index(self, species)
| The index of species ``species``, which may be specified as a string or
| an integer. In the latter case, the index is checked for validity and
| returned. If no such species is present, an exception is thrown.
|
| species_name(self, k)
| Name of the species with index ``k``.
|
| stoich_air_fuel_ratio(self, fuel, oxidizer, basis='mole')
| Get the stoichiometric air to fuel ratio (kg oxidizer / kg fuel). Considers the
| oxidation of C to CO2, H to H2O and S to SO2. Other elements are assumed
| not to participate in oxidation (that is, N ends up as N2).
| The ``basis`` determines the composition of fuel and oxidizer: ``basis='mole'`` (default)
| means mole fractions, ``basis='mass'`` means mass fractions::
|
| >>> gas.set_mixture_fraction(0.5, 'CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| >>> gas.stoich_air_fuel_ratio('CH3:0.5, CH3OH:.5, N2:0.125', 'O2:0.21, N2:0.79, NO:0.01')
| 8.148040722239438
|
| :param fuel:
| Fuel species name or mole/mass fractions as string, array, or dict.
| :param oxidizer:
| Oxidizer species name or mole/mass fractions as a string, array, or
| dict.
| :param basis:
| Determines if ``fuel`` and ``oxidizer`` are given in mole
| fractions (``basis='mole'``) or mass fractions (``basis='mass'``)
|
| update_electron_energy_distribution(self)
| Update the electron energy distribution function to account for changes in
| composition, temperature, pressure, or electric field strength.
|
| .. versionadded:: 3.2
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| DP
| Get/Set density [kg/m³] and pressure [Pa].
|
| DPX
| Get/Set density [kg/m³], pressure [Pa], and mole fractions.
|
| DPY
| Get/Set density [kg/m³], pressure [Pa], and mass fractions.
|
| HP
| Get/Set enthalpy [J/kg or J/kmol] and pressure [Pa].
|
| HPX
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mole fractions.
|
| HPY
| Get/Set enthalpy [J/kg or J/kmol], pressure [Pa] and mass fractions.
|
| P
| Pressure [Pa].
|
| P_sat
| Saturation pressure [Pa] at the current temperature.
|
| Pe
| Get electron Pressure [Pa].
|
| SP
| Get/Set entropy [J/kg/K or J/kmol/K] and pressure [Pa].
|
| SPX
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mole fractions.
|
| SPY
| Get/Set entropy [J/kg/K or J/kmol/K], pressure [Pa], and mass fractions.
|
| SV
| Get/Set entropy [J/kg/K or J/kmol/K] and specific volume [m³/kg or m³/kmol].
|
| SVX
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mole fractions.
|
| SVY
| Get/Set entropy [J/kg/K or J/kmol/K], specific volume [m³/kg or m³/kmol], and
| mass fractions.
|
| T
| Temperature [K].
|
| TD
| Get/Set temperature [K] and density [kg/m³ or kmol/m³].
|
| TDX
| Get/Set temperature [K], density [kg/m³ or kmol/m³], and mole fractions.
|
| TDY
| Get/Set temperature [K] and density [kg/m³ or kmol/m³], and mass fractions.
|
| TP
| Get/Set temperature [K] and pressure [Pa].
|
| TPX
| Get/Set temperature [K], pressure [Pa], and mole fractions.
|
| TPY
| Get/Set temperature [K], pressure [Pa], and mass fractions.
|
| T_sat
| Saturation temperature [K] at the current pressure.
|
| Te
| Get/Set electron Temperature [K].
|
| UV
| Get/Set internal energy [J/kg or J/kmol] and specific volume [m³/kg or m³/kmol].
|
| UVX
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mole fractions.
|
| UVY
| Get/Set internal energy [J/kg or J/kmol], specific volume [m³/kg or m³/kmol],
| and mass fractions.
|
| X
| Get/Set the species mole fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.X = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.X = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.X = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.X
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| Y
| Get/Set the species mass fractions. Can be set as an array, as a dictionary,
| or as a string. Always returns an array::
|
| >>> phase.Y = [0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5]
| >>> phase.Y = {'H2':0.1, 'O2':0.4, 'AR':0.5}
| >>> phase.Y = 'H2:0.1, O2:0.4, AR:0.5'
| >>> phase.Y
| array([0.1, 0, 0, 0.4, 0, 0, 0, 0, 0.5])
|
| activities
| Array of nondimensional activities. Returns either molar or molal
| activities depending on the convention of the thermodynamic model.
|
| activity_coefficients
| Array of nondimensional, molar activity coefficients.
|
| atomic_weights
| Array of atomic weight [kg/kmol] for each element in the mixture.
|
| auxiliary_data
| Intermediate or model-specific parameters used by particular
| derived classes.
|
| basis
| Determines whether intensive thermodynamic properties are treated on a
| ``mass`` (per kg) or ``molar`` (per kmol) basis. This affects the values
| returned by the properties `h`, `u`, `s`, `g`, `v`, `density`, `cv`,
| and `cp`, as well as the values used with the state-setting properties
| such as `HPX` and `UV`.
|
| case_sensitive_species_names
| Enforce case-sensitivity for look up of species names
|
| charges
| Array of species charges [elem. charge].
|
| chemical_potentials
| Array of species chemical potentials [J/kmol].
|
| concentrations
| Get/Set the species concentrations. Units are kmol/m³ for bulk phases, kmol/m²
| for surface phases, and kmol/m for edge phases.
|
| cp
| Heat capacity at constant pressure and composition.
| [J/kg/K or J/kmol/K depending on `basis`]
|
| cp_mass
| Specific heat capacity at constant pressure and composition [J/kg/K].
|
| cp_mole
| Molar heat capacity at constant pressure and composition [J/kmol/K].
|
| critical_density
| Critical density [kg/m³ or kmol/m³] depending on `basis`.
|
| critical_pressure
| Critical pressure [Pa].
|
| critical_temperature
| Critical temperature [K].
|
| cv
| Heat capacity at constant volume and composition
| [J/kg/K or J/kmol/K depending on `basis`].
|
| cv_mass
| Specific heat capacity at constant volume and composition [J/kg/K].
|
| cv_mole
| Molar heat capacity at constant volume and composition [J/kmol/K].
|
| density
| Density [kg/m³ or kmol/m³] depending on `basis`.
|
| density_mass
| (Mass) density [kg/m³].
|
| density_mole
| Molar density [kmol/m³].
|
| elastic_power_loss
| Elastic power loss (W/m³)
|
| .. versionadded:: 3.2
|
| electric_field
| Get/Set the electric field (E) [V/m].
|
| This is the absolute electric field strength. It is related to the reduced
| electric field (E/N) through the number density of neutrals.
|
| .. versionadded:: 3.2
|
| electric_potential
| Get/Set the electric potential [V] for this phase.
|
| electrochemical_potentials
| Array of species electrochemical potentials [J/kmol].
|
| electron_energy_distribution
| Electron energy distribution
|
| electron_energy_distribution_type
| Electron energy distribution type
|
| electron_energy_levels
| Electron energy levels [eV]
|
| electron_species_name
| Electron species name
|
| element_names
| A list of all the element names.
|
| enthalpy_mass
| Specific enthalpy [J/kg].
|
| enthalpy_mole
| Molar enthalpy [J/kmol].
|
| entropy_mass
| Specific entropy [J/kg/K].
|
| entropy_mole
| Molar entropy [J/kmol/K].
|
| g
| Gibbs free energy [J/kg or J/kmol] depending on `basis`.
|
| gibbs_mass
| Specific Gibbs free energy [J/kg].
|
| gibbs_mole
| Molar Gibbs free energy [J/kmol].
|
| h
| Enthalpy [J/kg or J/kmol] depending on `basis`.
|
| has_phase_transition
| Returns true if the phase represents a substance with phase transitions
|
| int_energy_mass
| Specific internal energy [J/kg].
|
| int_energy_mole
| Molar internal energy [J/kmol].
|
| is_compressible
| Returns true if the density of the phase is an independent variable defining
| the thermodynamic state of a substance
|
| is_pure
| Returns true if the phase represents a pure (fixed composition) substance
|
| isothermal_compressibility
| Isothermal compressibility [1/Pa].
|
| isotropic_shape_factor
| Shape factor of isotropic-velocity distribution for electron energy
|
| max_temp
| Maximum temperature for which the thermodynamic data for the phase are
| valid.
|
| mean_electron_energy
| Mean electron energy [eV]
|
| mean_molecular_weight
| The mean molecular weight (molar mass) [kg/kmol].
|
| min_temp
| Minimum temperature for which the thermodynamic data for the phase are
| valid.
|
| molecular_weights
| Array of species molecular weights (molar masses) [kg/kmol].
|
| n_electron_energy_levels
| Number of electron energy levels
|
| n_elements
| Number of elements.
|
| n_selected_species
| Number of species selected for output (by slicing of Solution object)
|
| n_species
| Number of species.
|
| normalize_electron_energy_distribution_enabled
| Automatically normalize electron energy distribution
|
| partial_molar_cp
| Array of species partial molar specific heat capacities at constant
| pressure [J/kmol/K].
|
| partial_molar_enthalpies
| Array of species partial molar enthalpies [J/kmol].
|
| partial_molar_entropies
| Array of species partial molar entropies [J/kmol/K].
|
| partial_molar_int_energies
| Array of species partial molar internal energies [J/kmol].
|
| partial_molar_volumes
| Array of species partial molar volumes [m³/kmol].
|
| phase_of_matter
| Get the thermodynamic phase (gas, liquid, etc.) at the current conditions.
|
| quadrature_method
| Quadrature method
|
| reduced_electric_field
| Get/Set the reduced electric field (E/N) [V·m²].
|
| .. versionadded:: 3.2
|
| reference_pressure
| Reference state pressure [Pa].
|
| s
| Entropy [J/kg/K or J/kmol/K] depending on `basis`.
|
| sound_speed
| Speed of sound [m/s].
|
| species_names
| A list of all the species names.
|
| standard_concentration_units
| Get standard concentration units for this phase.
|
| standard_cp_R
| Array of nondimensional species standard-state specific heat capacities
| at constant pressure at the current temperature and pressure.
|
| standard_enthalpies_RT
| Array of nondimensional species standard-state enthalpies at the
| current temperature and pressure.
|
| standard_entropies_R
| Array of nondimensional species standard-state entropies at the
| current temperature and pressure.
|
| standard_gibbs_RT
| Array of nondimensional species standard-state Gibbs free energies at
| the current temperature and pressure.
|
| standard_int_energies_RT
| Array of nondimensional species standard-state internal energies at the
| current temperature and pressure.
|
| state
| Get/Set the full thermodynamic state as a single array, arranged as
| [temperature, density, mass fractions] for most phases. Useful mainly
| in cases where it is desired to store many states in a multidimensional
| array.
|
| state_size
| Return size of vector defining internal state of the phase.
|
| thermal_expansion_coeff
| Thermal expansion coefficient [1/K].
|
| thermo_model
| Return thermodynamic model describing phase.
|
| u
| Internal energy in [J/kg or J/kmol].
|
| v
| Specific volume [m³/kg or m³/kmol] depending on `basis`.
|
| volume_mass
| Specific volume [m³/kg].
|
| volume_mole
| Molar volume [m³/kmol].
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__test__ = {'ThermoPhase.elemental_mass_fraction (line 1074)': '\n ...
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.transport
Python Library Documentation: module cantera.transport in cantera
NAME
cantera.transport
CLASSES
builtins.object
GasTransportData
cantera.solutionbase._SolutionBase(builtins.object)
Transport
DustyGasTransport
class DustyGasTransport(Transport)
| Implements the "dusty gas" model for transport in porous media.
|
| As implemented here, only species transport (`~Transport.multi_diff_coeffs`)
| is handled. The viscosity, thermal conductivity, and thermal diffusion
| coefficients are not implemented.
|
| Method resolution order:
| DustyGasTransport
| Transport
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| molar_fluxes(self, T1, T2, rho1, rho2, Y1, Y2, delta)
| Get the molar fluxes [kmol/m²/s], given the thermodynamic state at
| two nearby points.
|
| :param T1:
| Temperature [K] at the first point
| :param T2:
| Temperature [K] at the second point
| :param rho1:
| Density [kg/m³] at the first point
| :param rho2:
| Density [kg/m³] at the second point
| :param Y1:
| Array of mass fractions at the first point. Length `n_species`.
| :param Y2:
| Array of mass fractions at the second point. Length `n_species`.
| :param delta:
| Distance [m] between the two points.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| mean_particle_diameter
| Mean particle diameter of the porous medium [m].
|
| mean_pore_radius
| Mean pore radius of the porous medium [m].
|
| permeability
| Permeability of the porous medium [m²].
|
| porosity
| Porosity of the porous medium [dimensionless].
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
| Returns the thermal conductivity of the ideal gas object using the
| multicomponent model. The value is not specific to the dusty gas model.
|
| tortuosity
| Tortuosity of the porous medium [dimensionless].
|
| ----------------------------------------------------------------------
| Methods inherited from Transport:
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from Transport:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
class GasTransportData(builtins.object)
| Transport data for a single gas-phase species which can be used in
| mixture-averaged or multicomponent transport models.
|
| The arguments passed to the constructor are equivalent to the properties of
| the object, with values in MKS units. To set properties in non-MKS units,
| use the `set_customary_units` method.
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `Solution.write_yaml` will only include values generated by Cantera based on
| the current object state.
|
| set_customary_units(self, geometry, diameter, well_depth, dipole=0.0, polarizability=0.0, rotational_relaxation=0.0, acentric_factor=0.0, dispersion_coefficient=0.0, quadrupole_polarizability=0.0)
| Set the parameters using "customary" units: diameter in Angstroms, well
| depth in Kelvin, dipole in Debye, and polarizability in Angstroms³.
| These are the units used in in CK-style input files.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `Solution.write_yaml` or in the data returned
| by `input_data`. Existing keys with matching names are overwritten.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| acentric_factor
| Get/Set Pitzer's acentric factor [dimensionless].
|
| diameter
| Get/Set the Lennard-Jones collision diameter [m]
|
| dipole
| Get/Set the permanent dipole moment of the molecule [Coulomb-m].
|
| dispersion_coefficient
| Get/Set dispersion coefficient [m⁵].
|
| geometry
| Get/Set the string specifying the molecular geometry. One of `atom`,
| `linear`, or `nonlinear`.
|
| input_data
| Get input data defining this GasTransportData object, along with any
| user-specified data provided with its input (YAML) definition.
|
| polarizability
| Get/Set the polarizability of the molecule [m³].
|
| quadrupole_polarizability
| Get/Set quadrupole polarizability [m⁵].
|
| rotational_relaxation
| Get/Set the rotational relaxation number (the number of collisions it
| takes to equilibrate the rotational degrees of freedom with the
| temperature).
|
| well_depth
| Get/Set the Lennard-Jones well depth [J]
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class Transport(cantera.solutionbase._SolutionBase)
| This class is used to compute transport properties for a phase of matter.
|
| Not all transport properties are implemented in all transport models.
|
| Method resolution order:
| Transport
| cantera.solutionbase._SolutionBase
| builtins.object
|
| Methods defined here:
|
| __init__(self, /, *args, **kwargs)
| Initialize self. See help(type(self)) for accurate signature.
|
| __reduce_cython__(...)
|
| __setstate_cython__(...)
|
| get_binary_diff_coeffs_polynomial(self, i, j)
| Get the coefficients of the temperature-dependent polynomial used as part of the
| fit for the binary diffusion coefficient for species ``i`` and ``j``. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| get_collision_integral_polynomials(self, i, j)
| Get the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of the reduced temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`.
|
| get_thermal_conductivity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| get_viscosity_polynomial(self, i)
| Get the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| set_binary_diff_coeffs_polynomial(self, i, j, values)
| Set the coefficients of the polynomial fit of the binary diffusion coefficient
| for species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitDiffCoeffs` for the functional form.
|
| set_collision_integral_polynomial(self, i, j, avalues, bvalues, cvalues, actualT=False)
| Set the coefficients of the polynomial fit of the collision integral for
| species ``i`` and ``j`` as a function of temperature. See
| :ct:`GasTransport::fitCollisionIntegrals`. The flag ``actualT`` determines
| whether the fit is done in terms of the reduced temperature
| (:math:`T^*_{ij} = T k_B / \epsilon_{ij}`; default) or the actual temperature.
|
| set_thermal_conductivity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the thermal conductivity of
| species ``i`` as a function of temperature. See
| :ct:`GasTransport::fitProperties` for the functional form.
|
| set_viscosity_polynomial(self, i, values)
| Set the coefficients of the polynomial fit for the viscosity of species ``i``
| as a function of temperature. See :ct:`GasTransport::fitProperties` for the
| functional form.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| CK_mode
| Boolean to indicate if the chemkin interpretation is used.
|
| binary_diff_coeffs
| Binary diffusion coefficients [m²/s].
|
| electrical_conductivity
| Electrical conductivity. [S/m].
|
| mix_diff_coeffs
| Mixture-averaged diffusion coefficients [m²/s] relating the
| mass-averaged diffusive fluxes (with respect to the mass averaged
| velocity) to gradients in the species mole fractions.
|
| mix_diff_coeffs_mass
| Mixture-averaged diffusion coefficients [m²/s] relating the
| diffusive mass fluxes to gradients in the species mass fractions.
|
| mix_diff_coeffs_mole
| Mixture-averaged diffusion coefficients [m²/s] relating the
| molar diffusive fluxes to gradients in the species mole fractions.
|
| mobilities
| Electrical mobilities of charged species [m²/s/V].
|
| multi_diff_coeffs
| Multicomponent diffusion coefficients, D[i,j], the diffusion
| coefficient for species i due to concentration gradients in
| species j [m**2/s].
|
| species_viscosities
| Pure species viscosities [Pa-s]
|
| thermal_conductivity
| Thermal conductivity. [W/m/K]
|
| thermal_diff_coeffs
| Return a one-dimensional array of the species thermal diffusion
| coefficients [kg/m/s].
|
| transport_fitting_errors
| Get error metrics about any functional fits calculated for pure species
| transport properties. See :ct:`GasTransport::fitDiffCoeffs` and
| :ct:`GasTransport::fitProperties`.
|
| .. warning::
|
| This property is an experimental part of the Cantera API and
| may be changed or removed without notice.
|
| .. versionadded:: 3.1
|
| transport_model
| Get/Set the string specifying the transport model, such as `multicomponent`,
| `mixture-averaged`, or `unity-Lewis-number`.
|
| Setting a new transport model deletes the underlying C++ Transport
| object and replaces it with a new one implementing the specified model.
|
| viscosity
| Viscosity [Pa-s].
|
| ----------------------------------------------------------------------
| Methods inherited from cantera.solutionbase._SolutionBase:
|
| __copy__(self)
|
| __del__(...)
|
| __getitem__(self, key, /)
| Return self[key].
|
| __getstate__(self)
| Save complete information of the current phase for pickling.
|
| __setstate__(self, pkl)
| Restore Solution from pickled information.
|
| clear_user_data(self)
| Clear all saved input data, so that the data given by `input_data` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| clear_user_header(self)
| Clear all saved header data, so that the data given by `input_header` or
| `write_yaml` will only include values generated by Cantera based on the
| current object state.
|
| update_user_data(self, data)
| Add the contents of the provided `dict` as additional fields when generating
| YAML phase definition files with `write_yaml` or in the data returned by
| `input_data`. Existing keys with matching names are overwritten.
|
| update_user_header(self, data)
| Add the contents of the provided `dict` as additional top-level YAML fields
| when generating files with `write_yaml` or in the data returned by
| `input_header`. Existing keys with matching names are overwritten.
|
| write_chemkin(self, mechanism_path=None, thermo_path=None, transport_path=None, sort_species=None, sort_elements=None, overwrite=False, quiet=False)
| Write this `~cantera.Solution` instance to one or more Chemkin-format files.
| See the documentation for `cantera.yaml2ck.convert` for information about the
| arguments to this function.
|
| write_yaml(self, filename=None, phases=None, units=None, precision=None, skip_user_defined=None, header=True)
| Write the definition for this phase, any additional phases specified,
| and their species and reactions to the specified file.
|
| :param filename:
| The name of the output file; if ``None``, a YAML string is returned
| :param phases:
| Additional ThermoPhase / Solution objects to be included in the
| output file
| :param units:
| A `UnitSystem` object or dictionary of the units to be used for
| each dimension.
| See `YamlWriter.output_units <cantera.YamlWriter.output_units>`.
| :param precision:
| For output floating point values, the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
| :param skip_user_defined:
| If `True`, user-defined fields which are not used by Cantera will
| be stripped from the output. These additional contents can also be
| controlled using the `update_user_data` and `clear_user_data` functions.
| :param header:
| If `True`, fields of the `input_header` will be added to the YAML header;
| note that fields name ``generator``, ``cantera-version``, ``git-commit``
| and ``date`` are reserved, which means that any existing data are
| replaced by automatically generated content when the file is written.
|
| ----------------------------------------------------------------------
| Data descriptors inherited from cantera.solutionbase._SolutionBase:
|
| composite
| Returns tuple of thermo/kinetics/transport models associated with
| this SolutionBase object.
|
| input_data
| Get input data corresponding to the current state of this Solution,
| along with any user-specified data provided with its input (YAML)
| definition.
|
| input_header
| Retrieve input header data not associated with the current state of this
| Solution, which corresponds to fields at the root level of the YAML input
| that are not required for the instantiation of Cantera objects.
|
| name
| The name assigned to this object. The default value corresponds
| to the YAML input file phase entry.
|
| selected_species
| Get/set the set of species that are included when returning results that have
| a value for each species, such as `species_names <cantera.ThermoPhase.species_names>`,
| `partial_molar_enthalpies <cantera.ThermoPhase.partial_molar_enthalpies>`, or
| `net_production_rates <cantera.Kinetics.net_production_rates>`. The list of
| selected species can be set by name or index. This property returns the
| species by index.::
|
| >>> gas.selected_species = ["H2", "O2"]
| >>> print(gas.molecular_weights)
| [ 2.016 31.998]
|
| This method is often used implicitly by using an indexing expression on a
| `Solution` object::
|
| >>> print(gas["H2", "O2"].molecular_weights)
| [ 2.016 31.998]
|
| source
| The source of this object (such as a file name).
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__pyx_capi__ = {'get_binary_transport_polynomial': <capsule object "Py...
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.units
Python Library Documentation: module cantera.units in cantera
NAME
cantera.units
CLASSES
builtins.object
UnitStack
UnitSystem
Units
class UnitStack(builtins.object)
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __setstate__ = __setstate_cython__(...)
|
| join(self, exponent)
|
| product(self)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class UnitSystem(builtins.object)
| Unit system used for YAML input and output.
|
| The `UnitSystem` class is used to specify dimensional values for a given unit
| system. The main use is for converting values specified in input files to Cantera's
| native unit system, which is SI units except for the use of kmol as the base
| unit of quantity, that is, kilogram, meter, second, kelvin, ampere, and kmol.
|
| Generally, this class is used indirectly, through methods interacting with `AnyMap`
| objects such as `ExtensibleRate.set_parameters` and `ExtensibleRate.get_parameters`.
|
| The default unit system used by Cantera is SI+kmol::
|
| ct.UnitSystem({
| "length": "m", "mass": "kg", "time": "s",
| "quantity": "kmol", "pressure": "Pa", "energy": "J",
| "temperature": "K", "current": "A", "activation-energy": "J / kmol"})
|
| A CGS+mol unit system with activation energy units of cal/mol is created as::
|
| ct.UnitSystem({
| "length": "cm", "mass": "g", "time": "s",
| "quantity": "mol", "pressure": "dyn / cm^2", "energy": "erg",
| "temperature": "K", "current": "A", "activation-energy": "cal / mol"})
|
| Defaults for dimensions not specified will be left unchanged. Accordingly,
| the default unit system is retrieved as::
|
| ct.UnitSystem()
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| convert_activation_energy_to(self, quantity, dest)
| Convert *quantity* to the activation energy units defined by *dest*, using this
| `UnitSystem` to define the default units of *quantity*. *quantity* can be one of
| the following:
|
| - A number, for example ``3.14``
| - A "quantity string" containing a number and a dimension string, separated by
| a space. For example, ``"3.14 J/kmol"``
| - A NumPy array of either numeric values or quantity strings as described above
| - A list, tuple, or other sequence of any shape containing numeric values or
| quantity strings, For example ``("30 kcal/mol", 3.14, "12000 K")``
|
| *dest* can be a string or `Units` object specifying the destination units, which
| must be interpretable as unit of energy per unit quantity (for example, J/kmol),
| energy (for example, eV) or temperature (K).
|
| convert_rate_coeff_to(self, quantity, dest)
| Convert a *quantity* representing a rate coefficient to the units defined by
| *dest*, using this `UnitSystem` to define the default units of *quantity*.
| Behaves similar to`convert_to` but with special handling for the case of
| standalone rate constants, where the destination units are not actually known,
| and where the units may be specified using `Units` or `UnitStack` objects.
|
| convert_to(self, quantity, dest)
| Convert *quantity* to the units defined by *dest*, using this `UnitSystem` to
| define the default units of *quantity*. *quantity* can be one of the following:
|
| - A number, for example ``3.14``
| - A "quantity string" containing a number and a dimension string, separated by
| a space. For example, ``"3.14 kmol/m^3"``
| - A NumPy array of either numeric values or quantity strings as described above
| - A list, tuple, or other sequence of any shape containing numeric values or
| quantity strings, For example ``("3000 mm", 3.14, "12 cm")``
|
| *dest* can be a string or `Units` object specifying the destination units.
|
| defaults(self)
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| units
| Units used by the unit system
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
class Units(builtins.object)
| A representation of the units associated with a dimensional quantity.
|
| This class is a light-weight interface to internal Cantera capabilities that are
| used for converting quantities between unit systems and checking for dimensional
| consistency. Internally, `Units` objects are mainly used within the `UnitSystem`
| class to convert values from a user-specified Unit system to Cantera's base units
| (SI + kmol).
|
| The Python API handles display of `Units` that do not require a conversion factor,
| with other functions not enabled.
|
| Methods defined here:
|
| __reduce__ = __reduce_cython__(...)
|
| __repr__(self, /)
| Return repr(self).
|
| __setstate__ = __setstate_cython__(...)
|
| __str__(self, /)
| Return str(self).
|
| dimension(self, primary: 'str') -> 'float'
| The dimension of the given unit component.
|
| .. versionadded:: 3.0
|
| :param primary:
| A string with the desired unit component. One of ``"mass"``,
| ``"length"``, ``"time"``, ``"temperature"``, ``"current"``, or
| ``"quantity"``.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| dimensions
| A dictionary of the primary unit components to their dimensions.
|
| .. versionadded:: 3.0
|
| factor
| The factor required to convert from this unit to Cantera's base units.
|
| .. versionadded:: 3.0
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
FUNCTIONS
__reduce_cython__(self)
__setstate_cython__(self, __pyx_state)
DATA
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd
cantera.use_legacy_rate_constants
Python Library Documentation: cython_function_or_method in module cantera._utils
use_legacy_rate_constants(legacy)
Set definition used for rate constant calculation.
If set to `False` (default value), rate constants of three-body reactions are
consistent with conventional definitions (for example Eq. 9.75 in
:cite:t:`kee2003`). If set to `True`, output for rate constants of three-body
reactions is multiplied by third-body concentrations, consistent with Cantera's
behavior prior to version 3.0.
cantera.use_sparse
Python Library Documentation: cython_function_or_method in module cantera._utils
use_sparse(sparse=True)
Enable sparse output using `scipy.sparse`. Sparse output requires a working
*SciPy* installation. Use pip or conda to install ``scipy`` to enable this method.
cantera.utils
Python Library Documentation: module cantera.utils in cantera
NAME
cantera.utils
DESCRIPTION
# This file is part of Cantera. See License.txt in the top-level directory or
# at https://cantera.org/license.txt for license and copyright information.
FUNCTIONS
add_module_directory() -> None
Add the directory containing the module from which this function is called
to the Cantera input file search path.
.. deprecated:: 3.2
To be removed after Cantera 3.2.
import_phases(filename: pathlib.Path | str, phase_names: collections.abc.Iterable[str]) -> list[cantera.composite.Solution]
Import multiple phases from one file. The phase names should be
entered as a list of strings.
.. deprecated:: 3.2
To be removed after Cantera 3.2.
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\utils.py
cantera.yamlwriter
Python Library Documentation: module cantera.yamlwriter in cantera
NAME
cantera.yamlwriter
CLASSES
builtins.object
YamlWriter
class YamlWriter(builtins.object)
| A class for generating full YAML input files from multiple Solution objects
|
| Methods defined here:
|
| __copy__(self)
|
| __reduce__(self)
|
| add_solution(self, soln)
| Include a phase definition for the specified Solution object
|
| set_header(self, soln)
| Include top-level information for the specified Solution object
|
| to_file(self, filename)
| Write the definitions for the added phases, species and reactions to
| the specified file.
|
| to_string(self)
| Return a YAML string that contains the definitions for the added phases,
| species, and reactions.
|
| ----------------------------------------------------------------------
| Static methods defined here:
|
| __new__(*args, **kwargs)
| Create and return a new object. See help(type) for accurate signature.
|
| ----------------------------------------------------------------------
| Data descriptors defined here:
|
| output_units
| Set the units to be used in the output file. Dimensions not specified
| will use Cantera's defaults.
|
| :param units:
| A `UnitSystem` object or map where keys are dimensions (mass, length, time,
| quantity, pressure, energy, activation-energy), and the values are
| corresponding units such as kg, mm, s, kmol, Pa, cal, and eV.
|
| precision
| For output floating point values, set the maximum number of digits to
| the right of the decimal point. The default is 15 digits.
|
| skip_user_defined
| By default user-defined data present in the input is preserved on
| output. This method can be used to skip output of user-defined data
| fields which are not directly used by Cantera.
|
| ----------------------------------------------------------------------
| Data and other attributes defined here:
|
| __pyx_vtable__ = <capsule object NULL>
DATA
__test__ = {}
FILE
c:\users\youse\appdata\local\programs\python\python312\lib\site-packages\cantera\_cantera.cp312-win_amd64.pyd