CADETProcess.processModel.MassActionLaw

class CADETProcess.processModel.MassActionLaw(name)

Bases: BulkReactionBase

Parameters for Reaction in Bulk Phase.

add_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.

exponents_bwd

Aggregator for sized parameters.

exponents_fwd

Aggregator for sized parameters.

k_bwd

Descriptor aggregating parameters from iterable container of other objects.

property k_eq: list

list: Equilibrium constants of liquid phase Reactions.

k_fwd

Descriptor aggregating parameters from iterable container of other objects.

property n_reactions: int

int: Number of Reactions.

property reactions: int

list: Reactions in ReactionSystem.

stoich

Aggregator for sized parameters.

to_particle_model() → MassActionLawParticle

Convert Bulk Reaction Model to Particle Reaction Model.