A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase) More...
#include <Reaction.h>
Public Member Functions | |
| InterfaceReaction (const Composition &reactants, const Composition &products, const Arrhenius &rate, bool isStick=false) | |
 Public Member Functions inherited from ElementaryReaction | |
| ElementaryReaction (const Composition &reactants, const Composition products, const Arrhenius &rate) | |
| virtual void | validate () |
| Ensure that the rate constant and other parameters for this reaction are valid. More... | |
| Public Member Functions inherited from Reaction | |
| Reaction (int type) | |
| Reaction (int type, const Composition &reactants, const Composition &products) | |
| virtual std::string | reactantString () const |
| The reactant side of the chemical equation for this reaction. More... | |
| virtual std::string | productString () const |
| The product side of the chemical equation for this reaction. More... | |
| std::string | equation () const |
| The chemical equation for this reaction. More... | |
Public Attributes | |
| std::map< std::string, CoverageDependency > | coverage_deps |
| Adjustments to the Arrhenius rate expression dependent on surface species coverages. More... | |
| bool | is_sticking_coefficient |
Set to true if rate is a parameterization of the sticking coefficient rather than the forward rate constant. More... | |
| bool | use_motz_wise_correction |
Set to true if rate is a sticking coefficient which should be translated into a rate coefficient using the correction factor developed by Motz & Wise for reactions with high (near-unity) sticking coefficients. More... | |
| std::string | sticking_species |
| For reactions with multiple non-surface species, the sticking species needs to be explicitly identified. More... | |
| Public Attributes inherited from ElementaryReaction | |
| Arrhenius | rate |
| bool | allow_negative_pre_exponential_factor |
| Public Attributes inherited from Reaction | |
| int | reaction_type |
| Type of the reaction. More... | |
| Composition | reactants |
| Reactant species and stoichiometric coefficients. More... | |
| Composition | products |
| Product species and stoichiometric coefficients. More... | |
| Composition | orders |
| Forward reaction order with respect to specific species. More... | |
| std::string | id |
| An identification string for the reaction, used in some filtering operations. More... | |
| bool | reversible |
| True if the current reaction is reversible. False otherwise. More... | |
| bool | duplicate |
| True if the current reaction is marked as duplicate. More... | |
| bool | allow_nonreactant_orders |
| True if reaction orders can be specified for non-reactant species. More... | |
| bool | allow_negative_orders |
True if negative reaction orders are allowed. Default is false. More... | |
Detailed Description
A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase)
Definition at line 206 of file Reaction.h.
Member Data Documentation
◆ coverage_deps
| std::map<std::string, CoverageDependency> coverage_deps |
Adjustments to the Arrhenius rate expression dependent on surface species coverages.
Three coverage parameters (a, E, m) are used for each species on which the rate depends. See SurfaceArrhenius for details on the parameterization.
Definition at line 217 of file Reaction.h.
Referenced by InterfaceKinetics::addReaction(), and InterfaceKinetics::buildSurfaceArrhenius().
◆ is_sticking_coefficient
| bool is_sticking_coefficient |
Set to true if rate is a parameterization of the sticking coefficient rather than the forward rate constant.
Definition at line 221 of file Reaction.h.
Referenced by InterfaceKinetics::buildSurfaceArrhenius().
◆ use_motz_wise_correction
| bool use_motz_wise_correction |
Set to true if rate is a sticking coefficient which should be translated into a rate coefficient using the correction factor developed by Motz & Wise for reactions with high (near-unity) sticking coefficients.
Defaults to 'false'.
Definition at line 227 of file Reaction.h.
Referenced by InterfaceKinetics::buildSurfaceArrhenius().
◆ sticking_species
| std::string sticking_species |
For reactions with multiple non-surface species, the sticking species needs to be explicitly identified.
Definition at line 231 of file Reaction.h.
Referenced by InterfaceKinetics::buildSurfaceArrhenius().
The documentation for this class was generated from the following files:
