Cantera 2.6.0
Public Member Functions | Public Attributes | Protected Member Functions | List of all members
ThreeBodyReaction2 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 ThreeBodyReaction2:
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Collaboration diagram for ThreeBodyReaction2:
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Public Member Functions

 ThreeBodyReaction2 (const Composition &reactants, const Composition &products, const Arrhenius2 &rate, const ThirdBody &tbody)
 
virtual std::string type () const
 The type of reaction. More...
 
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...
 
virtual void calculateRateCoeffUnits (const Kinetics &kin)
 Calculate the units of the rate constant. More...
 
virtual void getParameters (AnyMap &reactionNode) const
 Store the parameters of a Reaction needed to reconstruct an identical object using the newReaction(AnyMap&, Kinetics&) function. More...
 
- Public Member Functions inherited from ElementaryReaction2
 ElementaryReaction2 (const Composition &reactants, const Composition products, const Arrhenius2 &rate)
 
virtual void validate ()
 Ensure that the rate constant and other parameters for this reaction are valid. More...
 
virtual void validate ()
 Ensure that the rate constant and other parameters for this reaction are valid. More...
 
virtual void validate (Kinetics &kin)
 Perform validation checks that need access to a complete Kinetics objects, for. More...
 
- Public Member Functions inherited from Reaction
 Reaction (const Composition &reactants, const Composition &products, shared_ptr< ReactionRate > rate={})
 
 Reaction (const AnyMap &node, const Kinetics &kin)
 Construct a Reaction and it's corresponding ReactionRate based on AnyMap (YAML) input. More...
 
 Reaction (int type)
 
 Reaction (int type, const Composition &reactants, const Composition &products)
 
std::string equation () const
 The chemical equation for this reaction. More...
 
virtual void setEquation (const std::string &equation, const Kinetics *kin=0)
 Set the reactants and products based on the reaction equation. More...
 
UnitStack calculateRateCoeffUnits3 (const Kinetics &kin)
 Calculate the units of the rate constant. More...
 
AnyMap parameters (bool withInput=true) const
 Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function. More...
 
virtual void setParameters (const AnyMap &node, const Kinetics &kin)
 Set up reaction based on AnyMap node More...
 
bool valid () const
 Get validity flag of reaction. More...
 
void setValid (bool valid)
 Set validity flag of reaction. More...
 
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). More...
 
bool checkSpecies (const Kinetics &kin) const
 Verify that all species involved in the reaction are defined in the Kinetics object. More...
 
bool usesElectrochemistry (const Kinetics &kin) const
 Check whether reaction uses electrochemistry. More...
 
shared_ptr< ReactionRaterate ()
 Get reaction rate pointer. More...
 
void setRate (shared_ptr< ReactionRate > rate)
 Set reaction rate pointer. More...
 
shared_ptr< ThirdBodythirdBody ()
 Get pointer to third-body. More...
 
bool usesLegacy () const
 Indicate whether object uses legacy framework. More...
 

Public Attributes

ThirdBody third_body
 Relative efficiencies of third-body species in enhancing the reaction rate. More...
 
- Public Attributes inherited from ElementaryReaction2
Arrhenius2 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...
 
AnyMap input
 Input data used for specific models. More...
 
Units rate_units
 The units of the rate constant. More...
 

Protected Member Functions

virtual std::pair< std::vector< std::string >, bool > undeclaredThirdBodies (const Kinetics &kin) const
 

Additional Inherited Members

- Protected Attributes inherited from Reaction
bool m_valid
 Flag indicating whether reaction is set up correctly. More...
 
shared_ptr< ReactionRatem_rate
 Reaction rate used by generic reactions. More...
 
shared_ptr< ThirdBodym_third_body
 Relative efficiencies of third-body species in enhancing the reaction rate (if applicable) More...
 

Detailed Description

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

Definition at line 268 of file Reaction.h.

Constructor & Destructor Documentation

◆ ThreeBodyReaction2() [1/2]

Definition at line 637 of file Reaction.cpp.

◆ ThreeBodyReaction2() [2/2]

ThreeBodyReaction2 ( const Composition reactants,
const Composition products,
const Arrhenius2 rate,
const ThirdBody tbody 
)

Definition at line 642 of file Reaction.cpp.

Member Function Documentation

◆ type()

virtual std::string type ( ) const
inlinevirtual

The type of reaction.

Reimplemented from ElementaryReaction2.

Definition at line 275 of file Reaction.h.

◆ reactantString()

std::string reactantString ( ) const
virtual

The reactant side of the chemical equation for this reaction.

Reimplemented from Reaction.

Definition at line 652 of file Reaction.cpp.

References ThirdBody::efficiencies, Reaction::reactantString(), ThirdBody::specified_collision_partner, and ThreeBodyReaction2::third_body.

◆ productString()

std::string productString ( ) const
virtual

The product side of the chemical equation for this reaction.

Reimplemented from Reaction.

Definition at line 662 of file Reaction.cpp.

References ThirdBody::efficiencies, Reaction::productString(), ThirdBody::specified_collision_partner, and ThreeBodyReaction2::third_body.

◆ calculateRateCoeffUnits()

void calculateRateCoeffUnits ( const Kinetics kin)
virtual

Calculate the units of the rate constant.

These are determined by the units of the standard concentration of the reactant species' phases and the phase where the reaction occurs. Sets the value of rate_units.

Reimplemented from Reaction.

Definition at line 672 of file Reaction.cpp.

References Reaction::calculateRateCoeffUnits(), Units::pow(), Reaction::products, Reaction::rate_units, Reaction::reactants, Kinetics::reactionPhaseIndex(), ThermoPhase::standardConcentrationUnits(), and Kinetics::thermo().

◆ getParameters()

void getParameters ( AnyMap reactionNode) const
virtual

Store the parameters of a Reaction needed to reconstruct an identical object using the newReaction(AnyMap&, Kinetics&) function.

Does not include user-defined fields available in the input map.

Reimplemented from ElementaryReaction2.

Definition at line 693 of file Reaction.cpp.

References ThirdBody::default_efficiency, ThirdBody::efficiencies, ElementaryReaction2::getParameters(), AnyMap::setFlowStyle(), ThirdBody::specified_collision_partner, and ThreeBodyReaction2::third_body.

◆ undeclaredThirdBodies()

std::pair< std::vector< std::string >, bool > undeclaredThirdBodies ( const Kinetics kin) const
protectedvirtual

Helper function returning vector of undeclared third body species and a boolean expression indicating whether the third body is specified. The function is used by the checkSpecies method and only needed as long as there is no unified approach to handle third body collision partners.

Parameters
kinKinetics object

Reimplemented from Reaction.

Definition at line 706 of file Reaction.cpp.

References ThirdBody::efficiencies, ThirdBody::specified_collision_partner, and ThreeBodyReaction2::third_body.

Member Data Documentation

◆ third_body

ThirdBody third_body

Relative efficiencies of third-body species in enhancing the reaction rate.

Definition at line 286 of file Reaction.h.

Referenced by GasKinetics::addThreeBodyReaction(), ThreeBodyReaction2::getParameters(), ThreeBodyReaction2::productString(), ThreeBodyReaction2::reactantString(), and ThreeBodyReaction2::undeclaredThirdBodies().


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