A class template for interface reaction rate specifications. More...

#include <InterfaceRate.h>

Inheritance diagram for InterfaceRate< RateType, DataType >:

Detailed Description

template<class RateType, class DataType>
class Cantera::InterfaceRate< RateType, DataType >

A class template for interface reaction rate specifications.

Definition at line 366 of file InterfaceRate.h.

Public Member Functions
	InterfaceRate (const AnyMap &node, const UnitStack &rate_units)
	Constructor based on AnyMap content.

	InterfaceRate (const AnyMap &node)

unique_ptr< MultiRateBase >	newMultiRate () const override

const string	type () const override
	Identifier of reaction rate type.

void	setParameters (const AnyMap &node, const UnitStack &rate_units) override

void	getParameters (AnyMap &node) const override

void	setContext (const Reaction &rxn, const Kinetics &kin) override

void	updateFromStruct (const DataType &shared_data)
	Update reaction rate parameters.

double	evalFromStruct (const DataType &shared_data) const
	Evaluate reaction rate.

double	ddTScaledFromStruct (const DataType &shared_data) const
	Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.

double	preExponentialFactor () const override

double	activationEnergy () const override

void	addCoverageDependence (const string &sp, double a, double m, const vector< double > &e) override
	Add a coverage dependency for species sp, with exponential dependence a, power-law exponent m, and activation energy dependence e, where e is in Kelvin, that is, energy divided by the molar gas constant.

Public Member Functions inherited from InterfaceRateBase
void	setParameters (const AnyMap &node)
	Perform object setup based on AnyMap node information.

void	getParameters (AnyMap &node) const
	Store parameters needed to reconstruct an identical object.

void	setCoverageDependencies (const AnyMap &dependencies, const UnitSystem &units=UnitSystem())
	Set coverage dependencies based on AnyMap node information.

void	getCoverageDependencies (AnyMap &dependencies) const
	Store parameters needed to reconstruct coverage dependencies.

virtual void	addCoverageDependence (const string &sp, double a, double m, const vector< double > &e)
	Add a coverage dependency for species sp, with exponential dependence a, power-law exponent m, and activation energy dependence e, where e is in Kelvin, that is, energy divided by the molar gas constant.

bool	exchangeCurrentDensityFormulation ()
	Boolean indicating whether rate uses exchange current density formulation.

void	setContext (const Reaction &rxn, const Kinetics &kin)
	Build rate-specific parameters based on Reaction and Kinetics context.

void	setSpecies (const vector< string > &species)
	Set association with an ordered list of all species associated with a given `Kinetics` object.

void	updateFromStruct (const InterfaceData &shared_data)
	Update reaction rate parameters.

double	voltageCorrection () const
	Calculate modifications for the forward reaction rate for interfacial charge transfer reactions.

bool	usesElectrochemistry ()
	Boolean indicating whether rate uses electrochemistry.

double	beta () const
	Return the charge transfer beta parameter.

double	siteDensity () const
	Return site density [kmol/m^2].

void	setSiteDensity (double siteDensity)
	Set site density [kmol/m^2].

Additional Inherited Members
Protected Attributes inherited from InterfaceRateBase
double	m_siteDensity
	Site density [kmol/m^2].

double	m_acov
	Coverage contribution to pre-exponential factor.

double	m_ecov
	Coverage contribution to activation energy.

double	m_mcov
	Coverage term in reaction rate.

bool	m_chargeTransfer
	Boolean indicating use of electrochemistry.

bool	m_exchangeCurrentDensityFormulation

double	m_beta
	Electrochemistry only.

double	m_deltaPotential_RT
	Normalized electric potential energy change.

double	m_deltaGibbs0_RT
	Normalized standard state Gibbs free energy change.

double	m_prodStandardConcentrations
	Products of standard concentrations.

map< size_t, size_t >	m_indices
	Map from coverage dependencies stored in this object to the index of the coverage species in the Kinetics object.

vector< string >	m_cov
	Vector holding names of coverage species.

vector< double >	m_ac
	Vector holding coverage-specific exponential dependence.

vector< vector< double > >	m_ec
	Vector holding coverage-specific activation energy dependence as a 5-membered array of polynomial coeffcients starting from 0th-order to 4th-order coefficients.

vector< bool >	m_lindep
	Vector holding boolean for linear dependence.

vector< double >	m_mc
	Vector holding coverage-specific power-law exponents.

Constructor & Destructor Documentation

◆ InterfaceRate() [1/2]

template<class RateType , class DataType >

InterfaceRate	(	const AnyMap &	node,
		const UnitStack &	rate_units
	)

inline

Constructor based on AnyMap content.

Definition at line 375 of file InterfaceRate.h.

◆ InterfaceRate() [2/2]

template<class RateType , class DataType >

InterfaceRate ( const AnyMap & node )

inlineexplicit

Definition at line 378 of file InterfaceRate.h.

Member Function Documentation

◆ newMultiRate()

template<class RateType , class DataType >

unique_ptr< MultiRateBase > newMultiRate ( ) const

inlineoverride

Definition at line 382 of file InterfaceRate.h.

◆ type()

template<class RateType , class DataType >

const string type ( ) const

inlineoverride

Identifier of reaction rate type.

Definition at line 387 of file InterfaceRate.h.

◆ setParameters()

template<class RateType , class DataType >

void setParameters	(	const AnyMap &	node,
		const UnitStack &	rate_units
	)

inlineoverride

Definition at line 391 of file InterfaceRate.h.

◆ getParameters()

template<class RateType , class DataType >

void getParameters ( AnyMap & node ) const

inlineoverride

Definition at line 396 of file InterfaceRate.h.

◆ setContext()

template<class RateType , class DataType >

void setContext	(	const Reaction &	rxn,
		const Kinetics &	kin
	)

inlineoverride

Definition at line 402 of file InterfaceRate.h.

◆ updateFromStruct()

template<class RateType , class DataType >

void updateFromStruct ( const DataType & shared_data )

inline

Update reaction rate parameters.

Parameters

shared_data data shared by all reactions of a given type

Definition at line 409 of file InterfaceRate.h.

◆ evalFromStruct()

template<class RateType , class DataType >

double evalFromStruct ( const DataType & shared_data ) const

inline

Evaluate reaction rate.

Parameters

shared_data data shared by all reactions of a given type

Definition at line 418 of file InterfaceRate.h.

◆ ddTScaledFromStruct()

template<class RateType , class DataType >

double ddTScaledFromStruct ( const DataType & shared_data ) const

inline

Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.

Parameters

shared_data data shared by all reactions of a given type

Definition at line 430 of file InterfaceRate.h.

◆ preExponentialFactor()

template<class RateType , class DataType >

double preExponentialFactor ( ) const

inlineoverride

Definition at line 434 of file InterfaceRate.h.

◆ activationEnergy()

template<class RateType , class DataType >

double activationEnergy ( ) const

inlineoverride

Definition at line 439 of file InterfaceRate.h.

◆ addCoverageDependence()

template<class RateType , class DataType >

void addCoverageDependence	(	const string &	sp,
		double	a,
		double	m,
		const vector< double > &	e
	)

inlineoverridevirtual

Add a coverage dependency for species sp, with exponential dependence a, power-law exponent m, and activation energy dependence e, where e is in Kelvin, that is, energy divided by the molar gas constant.

Reimplemented from InterfaceRateBase.

Definition at line 443 of file InterfaceRate.h.

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

InterfaceRate.h

Detailed Description

Public Member Functions

Additional Inherited Members

Constructor & Destructor Documentation

◆ InterfaceRate() [1/2]

◆ InterfaceRate() [2/2]

Member Function Documentation

◆ newMultiRate()

◆ type()

◆ setParameters()

◆ getParameters()

◆ setContext()

◆ updateFromStruct()

◆ evalFromStruct()

◆ ddTScaledFromStruct()

◆ preExponentialFactor()

◆ activationEnergy()

◆ addCoverageDependence()