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14 #include "cantera/kinetics/Falloff.h"
92 bool allow_negative_pre_exponential_factor;
156 bool allow_negative_pre_exponential_factor;
217 const Arrhenius& rate,
bool isStick=
false);
261 bool exchange_current_density_formulation;
doublereal beta
Forward value of the apparent Electrochemical transfer coefficient.
virtual std::string productString() const
The product side of the chemical equation for this reaction.
double a
coefficient for exponential dependence on coverage [dimensionless]
A wrapper for a variable whose type is determined at runtime.
Arrhenius reaction rate type depends only on temperature.
virtual std::string reactantString() const
The reactant side of the chemical equation for this reaction.
virtual void validate()
Ensure that the rate constant and other parameters for this reaction are valid.
virtual void validate()
Ensure that the rate constant and other parameters for this reaction are valid.
An interface reaction which involves charged species.
virtual std::string productString() const
The product side of the chemical equation for this reaction.
Arrhenius low_rate
The rate constant in the low-pressure limit.
AnyMap input
Input data used for specific models.
A class for managing third-body efficiencies, including default values.
double efficiency(const std::string &k) const
Get the third-body efficiency for species k
double default_efficiency
The default third body efficiency for species not listed in efficiencies.
Public interface for kinetics managers.
Pressure-dependent rate expression where the rate coefficient is expressed as a bivariate Chebyshev p...
Composition reactants
Reactant species and stoichiometric coefficients.
std::string equation() const
The chemical equation for this reaction.
A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase)
virtual std::string reactantString() const
The reactant side of the chemical equation for this reaction.
bool use_motz_wise_correction
Set to true if rate is a sticking coefficient which should be translated into a rate coefficient usin...
bool reversible
True if the current reaction is reversible. False otherwise.
double m
exponent for power law dependence on coverage [dimensionless]
Composition products
Product species and stoichiometric coefficients.
A pressure-dependent reaction parameterized by a bi-variate Chebyshev polynomial in temperature and p...
int reaction_type
Type of the reaction.
A reaction which follows mass-action kinetics with a modified Arrhenius reaction rate.
virtual void validate()
Ensure that the rate constant and other parameters for this reaction are valid.
double E
modification to the activation energy [K]
Pressure-dependent reaction rate expressed by logarithmically interpolating between Arrhenius rate ex...
virtual std::string productString() const
The product side of the chemical equation for this reaction.
doublereal film_resistivity
Film Resistivity value.
const U & getValue(const std::map< T, U > &m, const T &key, const U &default_val)
Const accessor for a value in a std::map.
ThirdBody third_body
Relative efficiencies of third-body species in enhancing the reaction rate.
A pressure-dependent reaction parameterized by logarithmically interpolating between Arrhenius rate e...
Class XML_Node is a tree-based representation of the contents of an XML file.
std::string sticking_species
For reactions with multiple non-surface species, the sticking species needs to be explicitly identifi...
A reaction where the rate decreases as pressure increases due to collisional stabilization of a react...
bool is_sticking_coefficient
Set to true if rate is a parameterization of the sticking coefficient rather than the forward rate co...
shared_ptr< Reaction > newReaction(const XML_Node &rxn_node)
Create a new Reaction object for the reaction defined in rxn_node
Modifications to an InterfaceReaction rate based on a surface species coverage.
virtual void validate()
Ensure that the rate constant and other parameters for this reaction are valid.
std::map< std::string, double > Composition
Map from string names to doubles.
Composition orders
Forward reaction order with respect to specific species.
CoverageDependency(double a_, double E_, double m_)
Constructor.
bool allow_nonreactant_orders
True if reaction orders can be specified for non-reactant species.
Composition efficiencies
Map of species to third body efficiency.
Arrhenius high_rate
The rate constant in the high-pressure limit.
A map of string keys to values whose type can vary at runtime.
bool allow_negative_orders
True if negative reaction orders are allowed. Default is false.
ThirdBody third_body
Relative efficiencies of third-body species in enhancing the reaction rate.
shared_ptr< Falloff > falloff
Falloff function which determines how low_rate and high_rate are combined to determine the rate const...
std::vector< shared_ptr< Reaction > > getReactions(const XML_Node &node)
Create Reaction objects for all <reaction> nodes in an XML document.
Intermediate class which stores data about a reaction and its rate parameterization so that it can be...
std::string id
An identification string for the reaction, used in some filtering operations.
Namespace for the Cantera kernel.
A reaction with a non-reacting third body "M" that acts to add or remove energy from the reacting spe...
std::map< std::string, CoverageDependency > coverage_deps
Adjustments to the Arrhenius rate expression dependent on surface species coverages.
virtual std::string reactantString() const
The reactant side of the chemical equation for this reaction.
A reaction that is first-order in [M] at low pressure, like a third-body reaction,...
bool duplicate
True if the current reaction is marked as duplicate.