Class that includes some bookeeping entries for a reaction or a global reaction defined on a surface. More...

#include <RxnMolChange.h>

Collaboration diagram for RxnMolChange:

Public Member Functions
	RxnMolChange (Cantera::Kinetics *kinPtr, int irxn)
	Main constructor for the class. More...

	~RxnMolChange ()
	Destructor. More...

	RxnMolChange (Cantera::Kinetics kinPtr, Cantera::ExtraGlobalRxn egr)
	Constructor for the object if the object refers to a global reaction. More...

Public Attributes
std::vector< double >	m_phaseMoleChange
	Vector of mole changes for each phase in the Kinetics object due to the current reaction. More...

std::vector< double >	m_phaseReactantMoles

std::vector< double >	m_phaseProductMoles

std::vector< double >	m_phaseMassChange
	Vector of mass changes for each phase in the Kinetics object due to the current reaction. More...

std::vector< double >	m_phaseChargeChange
	Vector of mass changes for each phase in the Kinetics object due to the current reaction. More...

std::vector< int >	m_phaseTypes
	Vector of phase types in the reaction. More...

std::vector< int >	m_phaseDims
	Vector of phase dimensions for the reaction. More...

int	m_nPhases
	Number of phases in the kientics object. More...

Cantera::Kinetics *	m_kinBase
	Shallow pointer pointing to the kinetics object. More...

int	m_iRxn
	Reaction number within the kinetics object. More...

double	m_ChargeTransferInRxn
	Maximum change in charge of any phase due to this reaction. More...

double	m_beta
	Electrochemical beta parameter for the reaction. More...

Cantera::ExtraGlobalRxn *	m_egr
	Pointer to the specification of the global reaction. More...

Detailed Description

Class that includes some bookeeping entries for a reaction or a global reaction defined on a surface.

Note that all indexes refer to a specific interfacial or homogeneous kinetics object. It does not refer to the Phase list indexes.

Deprecated:: Unfinished implementation to be removed after Cantera 2.2.

Definition at line 29 of file RxnMolChange.h.

Constructor & Destructor Documentation

RxnMolChange	(	Cantera::Kinetics *	kinPtr,
		int	irxn
	)

Main constructor for the class.

Parameters

kinPtr	Pointer to the kinetics base class
irxn	Specific reaction index.

Definition at line 31 of file RxnMolChange.cpp.

References AssertTrace, Phase::charge(), InterfaceKinetics::electrochem_beta(), ThermoPhase::eosType(), Kinetics::kineticsSpeciesIndex(), RxnMolChange::m_beta, RxnMolChange::m_ChargeTransferInRxn, RxnMolChange::m_kinBase, RxnMolChange::m_nPhases, RxnMolChange::m_phaseChargeChange, RxnMolChange::m_phaseDims, RxnMolChange::m_phaseMassChange, RxnMolChange::m_phaseMoleChange, RxnMolChange::m_phaseTypes, Phase::molecularWeight(), Phase::nDim(), Kinetics::nPhases(), Kinetics::nReactions(), Kinetics::nTotalSpecies(), Kinetics::productStoichCoeff(), Kinetics::reactantStoichCoeff(), Kinetics::speciesPhaseIndex(), Kinetics::thermo(), and Cantera::warn_deprecated().

~RxnMolChange ( )

inline

Destructor.

Definition at line 40 of file RxnMolChange.h.

RxnMolChange	(	Cantera::Kinetics *	kinPtr,
		Cantera::ExtraGlobalRxn *	egr
	)

Constructor for the object if the object refers to a global reaction.

Parameters

kinPtr	Pointer to the kinetics base class
egr	Specific reaction index.

Definition at line 95 of file RxnMolChange.cpp.

References AssertTrace, Phase::charge(), ThermoPhase::eosType(), Kinetics::kineticsSpeciesIndex(), RxnMolChange::m_beta, RxnMolChange::m_ChargeTransferInRxn, RxnMolChange::m_kinBase, RxnMolChange::m_nPhases, RxnMolChange::m_phaseChargeChange, RxnMolChange::m_phaseDims, RxnMolChange::m_phaseMassChange, RxnMolChange::m_phaseMoleChange, RxnMolChange::m_phaseTypes, Phase::molecularWeight(), Phase::nDim(), Kinetics::nPhases(), Kinetics::nTotalSpecies(), Kinetics::speciesPhaseIndex(), and Kinetics::thermo().

Member Data Documentation

std::vector<double> m_phaseMoleChange

Vector of mole changes for each phase in the Kinetics object due to the current reaction.

This is the sum of the product stoichiometric coefficient minum the reactant stoichioemtric coefficient for all the species in a phase. The index is over all the phases listed in the Kinetics object.

Definition at line 55 of file RxnMolChange.h.

Referenced by RxnMolChange::RxnMolChange().

std::vector<double> m_phaseMassChange

Vector of mass changes for each phase in the Kinetics object due to the current reaction.

This is the sum of the product stoichiometric coefficient minum the reactant stoichioemtric coefficient index multiplied by the molecular weight for all species in a phase. The index is over all of the phases listed in the Kinetics object.

Definition at line 67 of file RxnMolChange.h.

Referenced by RxnMolChange::RxnMolChange().

std::vector<double> m_phaseChargeChange

Vector of mass changes for each phase in the Kinetics object due to the current reaction.

This is the sum of the product stoichiometric coefficient minum the reactant stoichioemtric coefficient index multiplied by the charg for all species in a phase. The index is over all of the phases listed in the Kinetics object.

Definition at line 75 of file RxnMolChange.h.

Referenced by ElectrodeKinetics::openCircuitVoltage(), RxnMolChange::RxnMolChange(), and ElectrodeKinetics::updateROP().

std::vector<int> m_phaseTypes

Vector of phase types in the reaction.

Collection of eosTypes for all phases in the kinetics object The index is over all of the phases listed in the Kinetics object.

Definition at line 82 of file RxnMolChange.h.

Referenced by RxnMolChange::RxnMolChange().

std::vector<int> m_phaseDims

Vector of phase dimensions for the reaction.

Collection of nDims for all phases in the kinetics object The index is over all of the phases listed in the Kinetics object.

Definition at line 89 of file RxnMolChange.h.

Referenced by RxnMolChange::RxnMolChange().