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

#include <InterfaceRate.h>

Inheritance diagram for InterfaceRate< RateType, DataType >:

Collaboration diagram for InterfaceRate< RateType, DataType >:

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

	InterfaceRate (const AnyMap &node)

unique_ptr< MultiRateBase >	newMultiRate () const override

virtual const std::string	type () const override
	Identifier of reaction rate type. More...

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

virtual void	getParameters (AnyMap &node) const override

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

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

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

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

virtual double	preExponentialFactor () const override

virtual double	activationEnergy () const override

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

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

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

void	getCoverageDependencies (AnyMap &dependencies, bool asVector=false) const
	Store parameters needed to reconstruct coverage dependencies. More...

void	addCoverageDependence (const std::string &sp, double a, double m, 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. More...

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

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

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

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

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

bool	usesElectrochemistry ()
	Boolean indicating whether rate uses electrochemistry. More...

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

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

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

Protected Member Functions
template<typename T = RateType, typename std::enable_if< has_update< T >::value, bool >::type = true>
void	_update (const DataType &shared_data)
	Helper function to process updates for rate types that implement the `updateFromStruct` method. More...

template<typename T = RateType, typename std::enable_if<!has_update< T >::value, bool >::type = true>
void	_update (const DataType &shared_data)
	Helper function for rate types that do not implement `updateFromStruct`. More...

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

double	m_acov
	Coverage contribution to pre-exponential factor. More...

double	m_ecov
	Coverage contribution to activation energy. More...

double	m_mcov
	Coverage term in reaction rate. More...

bool	m_chargeTransfer
	Boolean indicating use of electrochemistry. More...

bool	m_exchangeCurrentDensityFormulation

double	m_beta
	Electrochemistry only. More...

double	m_deltaPotential_RT
	Normalized electric potential energy change. More...

double	m_deltaGibbs0_RT
	Normalized standard state Gibbs free energy change. More...

double	m_prodStandardConcentrations
	Products of standard concentrations. More...

std::map< size_t, size_t >	m_indices
	Map holding indices of coverage species. More...

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

vector_fp	m_ac
	Vector holding coverage-specific exponential dependence. More...

vector_fp	m_ec
	Vector holding coverage-specific activation energy dependence. More...

vector_fp	m_mc
	Vector holding coverage-specific power-law exponents. More...

Detailed Description

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

A class template for interface reaction rate specifications.

Definition at line 353 of file InterfaceRate.h.

Constructor & Destructor Documentation

◆ InterfaceRate() [1/2]

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

inline

Constructor based on AnyMap content.

Definition at line 362 of file InterfaceRate.h.

◆ InterfaceRate() [2/2]

InterfaceRate ( const AnyMap & node )

inlineexplicit

Definition at line 365 of file InterfaceRate.h.

Member Function Documentation

◆ newMultiRate()

unique_ptr< MultiRateBase > newMultiRate ( ) const

inlineoverride

Definition at line 369 of file InterfaceRate.h.

◆ type()

virtual const std::string type ( ) const

inlineoverridevirtual

Identifier of reaction rate type.

Definition at line 375 of file InterfaceRate.h.

◆ setParameters()

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

inlineoverridevirtual

Definition at line 379 of file InterfaceRate.h.

◆ getParameters()

virtual void getParameters ( AnyMap & node ) const

inlineoverridevirtual

Definition at line 386 of file InterfaceRate.h.

◆ setContext()

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

inlineoverridevirtual

Definition at line 392 of file InterfaceRate.h.

◆ updateFromStruct()

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 399 of file InterfaceRate.h.

References InterfaceRate< RateType, DataType >::_update(), and InterfaceRateBase::updateFromStruct().

◆ evalFromStruct()

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 406 of file InterfaceRate.h.

References InterfaceRateBase::m_acov, InterfaceRateBase::m_chargeTransfer, InterfaceRateBase::m_ecov, InterfaceRateBase::m_mcov, and InterfaceRateBase::voltageCorrection().

◆ ddTScaledFromStruct()

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 418 of file InterfaceRate.h.

◆ preExponentialFactor()

virtual double preExponentialFactor ( ) const

inlineoverridevirtual

Definition at line 422 of file InterfaceRate.h.

◆ activationEnergy()

virtual double activationEnergy ( ) const

inlineoverridevirtual

Definition at line 427 of file InterfaceRate.h.

◆ _update() [1/2]

void _update ( const DataType & shared_data )

inlineprotected

Helper function to process updates for rate types that implement the updateFromStruct method.

Definition at line 436 of file InterfaceRate.h.

Referenced by InterfaceRate< RateType, DataType >::updateFromStruct().

◆ _update() [2/2]

void _update ( const DataType & shared_data )

inlineprotected

Helper function for rate types that do not implement updateFromStruct.

Does nothing, but exists to allow generic implementations of update().

Definition at line 444 of file InterfaceRate.h.

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

InterfaceRate.h

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ InterfaceRate() [1/2]

◆ InterfaceRate() [2/2]

Member Function Documentation

◆ newMultiRate()

◆ type()

◆ setParameters()

◆ getParameters()

◆ setContext()

◆ updateFromStruct()

◆ evalFromStruct()

◆ ddTScaledFromStruct()

◆ preExponentialFactor()

◆ activationEnergy()

◆ _update() [1/2]

◆ _update() [2/2]