Cantera  3.0.0
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ThreeBodyReaction Class Reference

A reaction with a non-reacting third body "M" that acts to add or remove energy from the reacting species. More...

#include <Reaction.h>

Inheritance diagram for ThreeBodyReaction:
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Detailed Description

A reaction with a non-reacting third body "M" that acts to add or remove energy from the reacting species.

Deprecated:
To be removed after Cantera 3.0. Merged with Reaction

Definition at line 284 of file Reaction.h.

Public Member Functions

 ThreeBodyReaction (const Composition &reactants, const Composition &products, const ArrheniusRate &rate, const ThirdBody &tbody)
 
 ThreeBodyReaction (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< ReactionRaterate ()
 Get reaction rate pointer.
 
void setRate (shared_ptr< ReactionRate > rate)
 Set reaction rate pointer.
 
shared_ptr< ThirdBodythirdBody ()
 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< ReactionRatem_rate
 Reaction rate used by generic reactions.
 
shared_ptr< ThirdBodym_third_body
 Relative efficiencies of third-body species in enhancing the reaction rate (if applicable)
 

Constructor & Destructor Documentation

◆ ThreeBodyReaction() [1/3]

Definition at line 848 of file Reaction.cpp.

◆ ThreeBodyReaction() [2/3]

ThreeBodyReaction ( const Composition reactants,
const Composition products,
const ArrheniusRate rate,
const ThirdBody tbody 
)

Definition at line 856 of file Reaction.cpp.

◆ ThreeBodyReaction() [3/3]

ThreeBodyReaction ( const AnyMap node,
const Kinetics kin 
)

Definition at line 869 of file Reaction.cpp.


The documentation for this class was generated from the following files: