13 #include "cantera/kinetics/Falloff.h" 88 bool allow_negative_pre_exponential_factor;
211 const Arrhenius& rate,
bool isStick=
false);
254 bool exchange_current_density_formulation;
virtual std::string reactantString() const
The reactant side of the chemical equation for this reaction.
std::string sticking_species
For reactions with multiple non-surface species, the sticking species needs to be explicitly identifi...
virtual std::string productString() const
The product side of the chemical equation for this reaction.
bool allow_nonreactant_orders
True if reaction orders can be specified for non-reactant species.
bool is_sticking_coefficient
Set to true if rate is a parameterization of the sticking coefficient rather than the forward rate co...
int reaction_type
Type of the reaction.
A reaction which follows mass-action kinetics with a modified Arrhenius reaction rate.
A pressure-dependent reaction parameterized by a bi-variate Chebyshev polynomial in temperature and p...
Pressure-dependent rate expression where the rate coefficient is expressed as a bivariate Chebyshev p...
Various templated functions that carry out common vector operations (see Templated Utility Functions)...
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.
Composition orders
Forward reaction order with respect to specific species.
Class XML_Node is a tree-based representation of the contents of an XML file.
A class for managing third-body efficiencies, including default values.
double m
modification to the temperature exponent
A pressure-dependent reaction parameterized by logarithmically interpolating between Arrhenius rate e...
virtual std::string reactantString() const
The reactant side of the chemical equation for this reaction.
virtual std::string productString() const
The product side of the chemical equation for this reaction.
CoverageDependency(double a_, double E_, double m_)
Constructor.
double E
modification to the activation energy [K]
virtual void validate()
Ensure that the rate constant and other parameters for this reaction are valid.
std::map< std::string, CoverageDependency > coverage_deps
Adjustments to the Arrhenius rate expression dependent on surface species coverages.
shared_ptr< Falloff > falloff
Falloff function which determines how low_rate and high_rate are combined to determine the rate const...
std::string id
An identification string for the reaction, used in some filtering operations.
bool reversible
True if the current reaction is reversible. False otherwise.
bool duplicate
True if the current reaction is marked as duplicate.
std::map< std::string, doublereal > Composition
Map from string names to doubles.
bool allow_negative_orders
True if negative reaction orders are allowed. Default is false.
A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase)
A reaction that is first-order in [M] at low pressure, like a third-body reaction, but zeroth-order in [M] as pressure increases.
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.
shared_ptr< Reaction > newReaction(const XML_Node &rxn_node)
Create a new Reaction object for the reaction defined in rxn_node
Composition reactants
Reactant species and stoichiometric coefficients.
Intermediate class which stores data about a reaction and its rate parameterization so that it can be...
Pressure-dependent reaction rate expressed by logarithmically interpolating between Arrhenius rate ex...
double efficiency(const std::string &k) const
Get the third-body efficiency for species k
Arrhenius reaction rate type depends only on temperature.
doublereal film_resistivity
Film Resistivity value.
virtual std::string productString() const
The product side of the chemical equation for this reaction.
Composition efficiencies
Map of species to third body efficiency.
virtual void validate()
Ensure that the rate constant and other parameters for this reaction are valid.
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...
doublereal beta
Forward value of the apparent Electrochemical transfer coefficient.
A reaction with a non-reacting third body "M" that acts to add or remove energy from the reacting spe...
Modifications to an InterfaceReaction rate based on a surface species coverage.
Arrhenius high_rate
The rate constant in the high-pressure limit.
Arrhenius low_rate
The rate constant in the low-pressure limit.
Composition products
Product species and stoichiometric coefficients.
std::vector< shared_ptr< Reaction > > getReactions(const XML_Node &node)
Create Reaction objects for all <reaction> nodes in an XML document.
double a
modification to the pre-exponential factor [m, kmol, s units]
Namespace for the Cantera kernel.
double default_efficiency
The default third body efficiency for species not listed in efficiencies.
An interface reaction which involves charged species.
ThirdBody third_body
Relative efficiencies of third-body species in enhancing the reaction rate.
A reaction where the rate decreases as pressure increases due to collisional stabilization of a react...
ThirdBody third_body
Relative efficiencies of third-body species in enhancing the reaction rate.
std::string equation() const
The chemical equation for this reaction.