An abstract base class for evaluating all reactions of a particular type. More...

#include <MultiRateBase.h>

Inheritance diagram for MultiRateBase:

Detailed Description

An abstract base class for evaluating all reactions of a particular type.

Because this class has no template parameters, the Kinetics object can store all of these rate coefficient evaluators as a vector<shared_ptr<MultiRateBase>>. All of the actual implementation for this capability is done in the MultiRate class.

Definition at line 27 of file MultiRateBase.h.

Public Member Functions
virtual string	type ()=0
	Identifier of reaction rate type.

virtual void	add (size_t rxn_index, ReactionRate &rate)=0
	Add reaction rate object to the evaluator.

virtual bool	replace (size_t rxn_index, ReactionRate &rate)=0
	Replace reaction rate object handled by the evaluator.

virtual void	resize (size_t nSpecies, size_t nReactions, size_t nPhases)=0
	Update number of species and reactions.

virtual void	getRateConstants (double *kf)=0
	Evaluate all rate constants handled by the evaluator.

virtual void	modifyRateConstants (double kf, double kr)=0
	For certain reaction types that do not follow mass action kinetics (for example, Butler-Volmer), calculate modifications to the forward and reverse rate constants.

virtual void	processRateConstants_ddT (double rop, const double kf, double deltaT)=0
	Evaluate all rate constant temperature derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

virtual void	processRateConstants_ddP (double rop, const double kf, double deltaP)=0
	Evaluate all rate constant pressure derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

virtual void	processRateConstants_ddM (double rop, const double kf, double deltaM, bool overwrite=true)=0
	Evaluate all rate constant third-body derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

virtual void	update (double T)=0
	Update common reaction rate data based on temperature.

virtual void	update (double T, double extra)=0
	Update common reaction rate data based on temperature and extra parameter.

virtual void	update (double T, const vector< double > &extra)=0
	Update common reaction rate data based on temperature and extra parameter.

virtual bool	update (const ThermoPhase &phase, const Kinetics &kin)=0
	Update data common to reaction rates of a specific type.

virtual double	evalSingle (ReactionRate &rate)=0
	Get the rate for a single reaction.

Constructor & Destructor Documentation

◆ ~MultiRateBase()

virtual ~MultiRateBase ( )

inlinevirtual

Definition at line 30 of file MultiRateBase.h.

Member Function Documentation

◆ type()

virtual string type ( )

pure virtual

Identifier of reaction rate type.

Implemented in MultiRate< RateType, DataType >.

◆ add()

virtual void add	(	size_t	rxn_index,
		ReactionRate &	rate
	)

pure virtual

Add reaction rate object to the evaluator.

Parameters

rxn_index	index of reaction
rate	reaction rate object

Implemented in MultiRate< RateType, DataType >.

◆ replace()

virtual bool replace	(	size_t	rxn_index,
		ReactionRate &	rate
	)

pure virtual

Replace reaction rate object handled by the evaluator.

Parameters

rxn_index	index of reaction
rate	reaction rate object

Implemented in MultiRate< RateType, DataType >.

◆ resize()

virtual void resize	(	size_t	nSpecies,
		size_t	nReactions,
		size_t	nPhases
	)

pure virtual

Update number of species and reactions.

Parameters

nSpecies	number of species
nReactions	number of reactions
nPhases	number of phases

Implemented in MultiRate< RateType, DataType >.

◆ getRateConstants()

virtual void getRateConstants ( double * kf )

pure virtual

Evaluate all rate constants handled by the evaluator.

Parameters

kf	array of rate constants

Implemented in MultiRate< RateType, DataType >.

◆ modifyRateConstants()

virtual void modifyRateConstants	(	double *	kf,
		double *	kr
	)

pure virtual

For certain reaction types that do not follow mass action kinetics (for example, Butler-Volmer), calculate modifications to the forward and reverse rate constants.

Parameters

[in,out]	kf	On input, contains the rate constants as computed by getRateConstants(). The output value is updated by the reactant StoichManagerN to determine the forward rates of progress.
[in,out]	kr	On input, contains the reverse rate constants computed from the forward rate constants and the equilibrium constants. The output value is updated by the product StoichManagerN to determine the reverse rates of progress.

Since: New in Cantera 3.2

Implemented in MultiRate< RateType, DataType >.

◆ processRateConstants_ddT()

virtual void processRateConstants_ddT	(	double *	rop,
		const double *	kf,
		double	deltaT
	)

pure virtual

Evaluate all rate constant temperature derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

Depending on the implementation of a rate object, either an exact derivative or a numerical approximation may be used.

Parameters

[in,out]	rop	array of rop, which is modified by the method; contains rop on input, and d(rop)/dT on output
	kf	array of forward rate constants (numerical derivative only)
	deltaT	relative temperature perturbation (numerical derivative only)

Implemented in MultiRate< RateType, DataType >.

◆ processRateConstants_ddP()

virtual void processRateConstants_ddP	(	double *	rop,
		const double *	kf,
		double	deltaP
	)

pure virtual

Evaluate all rate constant pressure derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

Parameters

[in,out]	rop	array of rop, which is modified by the method; contains rop on input, and d(rop)/dP on output
	kf	array of forward rate constants
	deltaP	relative pressure perturbation

Implemented in MultiRate< RateType, DataType >.

◆ processRateConstants_ddM()

virtual void processRateConstants_ddM	(	double *	rop,
		const double *	kf,
		double	deltaM,
		bool	overwrite = `true`
	)

pure virtual

Evaluate all rate constant third-body derivatives handled by the evaluator; which are multiplied with the array of rate-of-progress variables.

Parameters

[in,out]	rop	array of rop, which is modified by the method; contains rop on input, and d(rop)/dM on output
	kf	array of forward rate constants
	deltaM	relative perturbation of third-body concentrations
	overwrite	if `true`, rop entries not affected by M are set to zero

Implemented in MultiRate< RateType, DataType >.

◆ update() [1/4]

virtual void update ( double T )

pure virtual

Update common reaction rate data based on temperature.

Only used in conjunction with evalSingle and ReactionRate::eval

Parameters

T	temperature [K]

Implemented in MultiRate< RateType, DataType >.

◆ update() [2/4]

virtual void update	(	double	T,
		double	extra
	)

pure virtual

Update common reaction rate data based on temperature and extra parameter.

Only used in conjunction with evalSingle and ReactionRate::eval

Parameters

T	temperature [K]
extra	extra parameter (depends on parameterization)

Implemented in MultiRate< RateType, DataType >.

◆ update() [3/4]

virtual void update	(	double	T,
		const vector< double > &	extra
	)

pure virtual

Update common reaction rate data based on temperature and extra parameter.

Only used in conjunction with evalSingle and ReactionRate::eval

Parameters

T	temperature [K]
extra	extra vector parameter (depends on parameterization)

Warning: This method is an experimental part of the Cantera API and may be changed or removed without notice.

Implemented in MultiRate< RateType, DataType >.

◆ update() [4/4]

virtual bool update	(	const ThermoPhase &	phase,
		const Kinetics &	kin
	)

pure virtual

Update data common to reaction rates of a specific type.

This update mechanism is used by Kinetics reaction rate evaluators.

Parameters

phase	object representing reacting phase
kin	object representing kinetics

Returns: flag indicating whether reaction rates need to be re-evaluated

Implemented in MultiRate< RateType, DataType >.

◆ evalSingle()

virtual double evalSingle ( ReactionRate & rate )

pure virtual

Get the rate for a single reaction.

Used to implement ReactionRate::eval, which allows for the evaluation of a reaction rate expression outside of Kinetics reaction rate evaluators. Mainly used for testing purposes.

Implemented in MultiRate< RateType, DataType >.

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

MultiRateBase.h

Detailed Description

Public Member Functions

Constructor & Destructor Documentation

◆ ~MultiRateBase()

Member Function Documentation

◆ type()

◆ add()

◆ replace()

◆ resize()

◆ getRateConstants()

◆ modifyRateConstants()

◆ processRateConstants_ddT()

◆ processRateConstants_ddP()

◆ processRateConstants_ddM()

◆ update() [1/4]

◆ update() [2/4]

◆ update() [3/4]

◆ update() [4/4]

◆ evalSingle()