CADETProcess.processModel.MassActionLawParticle

class CADETProcess.processModel.MassActionLawParticle(name)

Bases: ParticleReactionBase

Parameters for Reaction in Particle Phase.

add_cross_phase_reaction(component_system: ComponentSystem, components: list[list | str], coefficients: list[float], phases: list[int], k_fwd: float, k_bwd: float = 1, is_kinetic: bool = True, k_fwd_min: float = 100, exponents_fwd_liquid: list[float] | None = None, exponents_bwd_liquid: list[float] | None = None, exponents_fwd_solid: list[float] | None = None, exponents_bwd_solid: list[float] | None = None) → None

Initialize individual cross-phase MAL reaction.

Parameters:

component_systemComponentSystem

Component system of the reaction.

componentslist of int or strings

Component names of the components involved in the reaction.

coefficientslist

Stoichiometric coefficients in the same order of component indices.

phaseslist

phase indices of the component. 0: liquid phase 1: solid phase

k_fwdfloat

Forward reaction rate.

k_bwdfloat, optional

Backward reaction rate. The default is 1.

is_kineticBool, optional

If False, reaction rates are scaled up to approximate rapid equilibriums. The default is True.

k_fwd_minfloat, optional

Minimum value of foward reaction rate in case of rapid equilbrium. The default is 100.

exponents_fwd_liquidlist, optional

Concentration exponents of the components in order of indices for forward reaction in liquid phase. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

exponents_bwd_liquidlist, optional

Concentration exponents of the components in order of indices for backward reaction in liquid phase. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

exponents_fwd_solidlist, optional

Concentration exponents of the components in order of indices for forward reaction in solid phase. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

exponents_bwd_solidlist, optional

Concentration exponents of the components in order of indices for backward reaction in solid phase. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

add_liquid_reaction(component_system: ComponentSystem, components: list[int | str], coefficients: ndarray, k_fwd: float, k_bwd: float = 1, is_kinetic: bool = True, k_fwd_min: float = 100, exponents_fwd: list[float] | None = None, exponents_bwd: list[float] | None = None) → None

Initialize individual Mass Action Law Reaction.

Parameters:

component_systemComponentSystem

Component system of the reaction.

componentslist of int or strings

Component names of the components involved in the reaction.

coefficientsnp.ndarray

Stoichiometric coefficients in the same order of components .

k_fwdfloat

Forward reaction rate.

k_bwdfloat, optional

Backward reaction rate. The default is 1.

is_kineticbool, optional

If False, reaction rates are scaled up to approximate rapid equilibriums. The default is True.

k_fwd_minfloat, optional

Minimum value of foward reaction rate in case of rapid equilbrium. The default is 100.

exponents_fwdlist of float, optional

Concentration exponents of the components in order of components for forward reaction. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

exponents_bwdlist of float, optional

Concentration exponents of the components in order of components for backward reaction. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

add_solid_reaction(component_system: ComponentSystem, components: list[int | str], coefficients: ndarray, k_fwd: float, k_bwd: float = 1, is_kinetic: bool = True, k_fwd_min: float = 100, exponents_fwd: list[float] | None = None, exponents_bwd: list[float] | None = None) → None

Initialize individual Mass Action Law Reaction.

Parameters:

component_systemComponentSystem

Component system of the reaction.

componentslist of int or strings

Component names of the components involved in the reaction.

coefficientsnp.ndarray

Stoichiometric coefficients in the same order of components .

k_fwdfloat

Forward reaction rate.

k_bwdfloat, optional

Backward reaction rate. The default is 1.

is_kineticbool, optional

If False, reaction rates are scaled up to approximate rapid equilibriums. The default is True.

k_fwd_minfloat, optional

Minimum value of foward reaction rate in case of rapid equilbrium. The default is 100.

exponents_fwdlist of float, optional

Concentration exponents of the components in order of components for forward reaction. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

exponents_bwdlist of float, optional

Concentration exponents of the components in order of components for backward reaction. If None is given, values are inferred from the stoichiometric coefficients. The default is None.

property cross_phase_reactions: list

list: Cross phase reactions.

exponents_bwd_liquid

Aggregator for sized parameters.

exponents_bwd_liquid_modsolid

Aggregator where parameter name and size changes depending on instance type.

exponents_bwd_solid

Aggregator for sized parameters.

exponents_bwd_solid_modliquid

Aggregator where parameter name and size changes depending on instance type.

exponents_fwd_liquid

Aggregator for sized parameters.

exponents_fwd_liquid_modsolid

Aggregator where parameter name and size changes depending on instance type.

exponents_fwd_solid

Aggregator for sized parameters.

exponents_fwd_solid_modliquid

Aggregator where parameter name and size changes depending on instance type.

k_bwd_liquid

Descriptor aggregating parameters from iterable container of other objects.

k_bwd_solid

Descriptor aggregating parameters from iterable container of other objects.

property k_eq_liquid: list

list: Equilibrium constants of liquid phase Reactions.

property k_eq_solid: list

list: Equilibrium constants of solid phase Reactions.

k_fwd_liquid

Descriptor aggregating parameters from iterable container of other objects.

k_fwd_solid

Descriptor aggregating parameters from iterable container of other objects.

property liquid_reactions: list

list: Liquid phase Reactions.

property n_cross_phase_reactions: int

int: Number of cross phase Reactions.

property n_liquid_reactions: int

int: Number of liquid phase Reactions.

property n_solid_reactions: int

int: Number of solid phase Reactions.

property solid_reactions: list

list: Solid phase Reactions.

stoich_liquid

Aggregator where parameter name and size changes depending on instance type.

stoich_solid

Aggregator where parameter name and size changes depending on instance type.