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Cantera
3.0.0
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Cantera
3.0.0
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A falloff reaction that is first-order in [M] at low pressure, like a third-body reaction, but zeroth-order in [M] as pressure increases. More...
#include <Reaction.h>
A falloff reaction that is first-order in [M] at low pressure, like a third-body reaction, but zeroth-order in [M] as pressure increases.
In addition, the class supports chemically-activated reactions where the rate decreases as pressure increases due to collisional stabilization of a reaction intermediate; in this case, the forward rate constant is written as being proportional to the low-pressure rate constant.
Definition at line 302 of file Reaction.h.
Public Member Functions | |
| FalloffReaction (const Composition &reactants, const Composition &products, const FalloffRate &rate, const ThirdBody &tbody) | |
| FalloffReaction (const AnyMap &node, const Kinetics &kin) | |
 Public Member Functions inherited from Reaction | |
| Reaction (const Composition &reactants, const Composition &products, shared_ptr< ReactionRate > rate, shared_ptr< ThirdBody > tbody=nullptr) | |
| Reaction (const string &equation, shared_ptr< ReactionRate > rate, shared_ptr< ThirdBody > tbody=nullptr) | |
| Reaction (const AnyMap &node, const Kinetics &kin) | |
| Construct a Reaction and corresponding ReactionRate based on AnyMap (YAML) input. | |
| string | reactantString () const |
| The reactant side of the chemical equation for this reaction. | |
| string | productString () const |
| The product side of the chemical equation for this reaction. | |
| string | equation () const |
| The chemical equation for this reaction. | |
| void | setEquation (const string &equation, const Kinetics *kin=0) |
| Set the reactants and products based on the reaction equation. | |
| string | type () const |
| The type of reaction, including reaction rate information. | |
| UnitStack | calculateRateCoeffUnits (const Kinetics &kin) |
| Calculate the units of the rate constant. | |
| UnitStack | calculateRateCoeffUnits3 (const Kinetics &kin) |
| Calculate the units of the rate constant. | |
| void | check () |
| Ensure that the rate constant and other parameters for this reaction are valid. | |
| void | validate () |
| Ensure that the rate constant and other parameters for this reaction are valid. | |
| void | validate (Kinetics &kin) |
| Perform validation checks that need access to a complete Kinetics objects, for. | |
| AnyMap | parameters (bool withInput=true) const |
| Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function. | |
| void | setParameters (const AnyMap &node, const Kinetics &kin) |
| Set up reaction based on AnyMap node | |
| bool | valid () const |
| Get validity flag of reaction. | |
| void | setValid (bool valid) |
| Set validity flag of reaction. | |
| void | checkBalance (const Kinetics &kin) const |
| Check that the specified reaction is balanced (same number of atoms for each element in the reactants and products). | |
| bool | checkSpecies (const Kinetics &kin) const |
| Verify that all species involved in the reaction are defined in the Kinetics object. | |
| bool | usesElectrochemistry (const Kinetics &kin) const |
| Check whether reaction uses electrochemistry. | |
| shared_ptr< ReactionRate > | rate () |
| Get reaction rate pointer. | |
| void | setRate (shared_ptr< ReactionRate > rate) |
| Set reaction rate pointer. | |
| shared_ptr< ThirdBody > | thirdBody () |
| Get pointer to third-body handler. | |
| bool | usesThirdBody () const |
| Check whether reaction involves third body collider. | |
Additional Inherited Members | |
| Public Attributes inherited from Reaction | |
| Composition | reactants |
| Reactant species and stoichiometric coefficients. | |
| Composition | products |
| Product species and stoichiometric coefficients. | |
| Composition | orders |
| Forward reaction order with respect to specific species. | |
| string | id |
| An identification string for the reaction, used in some filtering operations. | |
| bool | reversible = true |
| True if the current reaction is reversible. False otherwise. | |
| bool | duplicate = false |
| True if the current reaction is marked as duplicate. | |
| bool | allow_nonreactant_orders = false |
| True if reaction orders can be specified for non-reactant species. | |
| bool | allow_negative_orders = false |
True if negative reaction orders are allowed. Default is false. | |
| AnyMap | input |
| Input data used for specific models. | |
| Units | rate_units {0.0} |
| The units of the rate constant. | |
| Protected Member Functions inherited from Reaction | |
| void | getParameters (AnyMap &reactionNode) const |
| Store the parameters of a Reaction needed to reconstruct an identical object using the newReaction(AnyMap&, Kinetics&) function. | |
| Protected Attributes inherited from Reaction | |
| bool | m_valid = true |
| Flag indicating whether reaction is set up correctly. | |
| bool | m_explicit_type = false |
| Flag indicating that serialization uses explicit type. | |
| bool | m_from_composition = false |
| Flag indicating that object was instantiated from reactant/product compositions. | |
| shared_ptr< ReactionRate > | m_rate |
| Reaction rate used by generic reactions. | |
| shared_ptr< ThirdBody > | m_third_body |
| Relative efficiencies of third-body species in enhancing the reaction rate (if applicable) | |
| FalloffReaction | ( | ) |
Definition at line 876 of file Reaction.cpp.
| FalloffReaction | ( | const Composition & | reactants, |
| const Composition & | products, | ||
| const FalloffRate & | rate, | ||
| const ThirdBody & | tbody | ||
| ) |
Definition at line 884 of file Reaction.cpp.
| FalloffReaction | ( | const AnyMap & | node, |
| const Kinetics & | kin | ||
| ) |
Definition at line 901 of file Reaction.cpp.
1.9.7