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Cantera
2.2.1
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Cantera
2.2.1
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Intermediate class which stores data about a reaction and its rate parameterization so that it can be added to a Kinetics object. More...
#include <Reaction.h>
Public Member Functions | |
| 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... | |
| virtual void | validate () |
| Ensure that the rate constant and other parameters for this reaction are valid. More... | |
Public Attributes | |
| 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... | |
Intermediate class which stores data about a reaction and its rate parameterization so that it can be added to a Kinetics object.
Definition at line 20 of file Reaction.h.
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virtual |
The reactant side of the chemical equation for this reaction.
Reimplemented in FalloffReaction, and ThreeBodyReaction.
Definition at line 60 of file Reaction.cpp.
Referenced by ThreeBodyReaction::reactantString(), and FalloffReaction::reactantString().
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The product side of the chemical equation for this reaction.
Reimplemented in FalloffReaction, and ThreeBodyReaction.
Definition at line 77 of file Reaction.cpp.
Referenced by ThreeBodyReaction::productString(), and FalloffReaction::productString().
| std::string equation | ( | ) | const |
The chemical equation for this reaction.
Definition at line 94 of file Reaction.cpp.
Referenced by InterfaceKinetics::buildSurfaceArrhenius(), Kinetics::checkDuplicates(), Kinetics::checkReactionBalance(), ElementaryReaction::validate(), FalloffReaction::validate(), and PlogReaction::validate().
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virtual |
Ensure that the rate constant and other parameters for this reaction are valid.
Reimplemented in PlogReaction, FalloffReaction, and ElementaryReaction.
Definition at line 35 of file Reaction.cpp.
Referenced by ElementaryReaction::validate(), FalloffReaction::validate(), and PlogReaction::validate().
| int reaction_type |
Type of the reaction.
The valid types are listed in the file, reaction_defs.h, with constants ending in RXN.
Definition at line 43 of file Reaction.h.
Referenced by InterfaceKinetics::addReaction(), and Kinetics::checkDuplicates().
| Composition reactants |
Reactant species and stoichiometric coefficients.
Definition at line 46 of file Reaction.h.
Referenced by InterfaceKinetics::addReaction(), InterfaceKinetics::buildSurfaceArrhenius(), Kinetics::checkDuplicates(), and Kinetics::checkReactionBalance().
| Composition products |
Product species and stoichiometric coefficients.
Definition at line 49 of file Reaction.h.
Referenced by InterfaceKinetics::addReaction(), Kinetics::checkDuplicates(), and Kinetics::checkReactionBalance().
| Composition orders |
Forward reaction order with respect to specific species.
By default, mass-action kinetics is assumed, with the reaction order equal to each reactant's stoichiometric coefficient.
Definition at line 54 of file Reaction.h.
Referenced by InterfaceKinetics::addReaction(), and InterfaceKinetics::buildSurfaceArrhenius().
| std::string id |
An identification string for the reaction, used in some filtering operations.
Definition at line 58 of file Reaction.h.
| bool reversible |
True if the current reaction is reversible. False otherwise.
Definition at line 61 of file Reaction.h.
Referenced by InterfaceKinetics::addReaction(), and Kinetics::checkDuplicates().
| bool duplicate |
True if the current reaction is marked as duplicate.
Definition at line 64 of file Reaction.h.
Referenced by Kinetics::checkDuplicates().
| bool allow_nonreactant_orders |
True if reaction orders can be specified for non-reactant species.
Default is false.
Definition at line 68 of file Reaction.h.
| bool allow_negative_orders |
True if negative reaction orders are allowed. Default is false.
Definition at line 71 of file Reaction.h.
1.8.6