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

#include <InterfaceRate.h>

Inheritance diagram for StickingRate< RateType, DataType >:

Collaboration diagram for StickingRate< RateType, DataType >:

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

	StickingRate (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

virtual void	validate (const std::string &equation, 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 StickingCoverage
void	setStickingParameters (const AnyMap &node)
	Perform object setup based on AnyMap node information. More...

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

bool	motzWiseCorrection () const
	Get flag indicating whether sticking rate uses the correction factor developed by Motz & Wise for reactions with high (near-unity) sticking coefficients. More...

void	setMotzWiseCorrection (bool motz_wise)
	Set flag for Motz & Wise correction factor. More...

std::string	stickingSpecies () const
	Get sticking species. More...

void	setStickingSpecies (const std::string &stickingSpecies)
	Set sticking species. More...

double	stickingOrder ()
	Get exponent applied to site density (sticking order) More...

void	setStickingOrder (double order)
	Set exponent applied to site density (sticking order) More...

double	stickingWeight ()
	Get the molecular weight of the sticking species. More...

void	setStickingWeight (double weight)
	Set the molecular weight of the sticking species. More...

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

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 StickingCoverage
bool	m_motzWise
	boolean indicating whether Motz & Wise correction is used More...

bool	m_explicitMotzWise
	Correction cannot be overriden by default. More...

std::string	m_stickingSpecies
	string identifying sticking species More...

bool	m_explicitSpecies
	Boolean flag. More...

double	m_surfaceOrder
	exponent applied to site density term More...

double	m_multiplier
	multiplicative factor in rate expression More...

double	m_factor
	cached factor More...

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::StickingRate< RateType, DataType >

A class template for interface sticking rate specifications.

Definition at line 454 of file InterfaceRate.h.

Constructor & Destructor Documentation

◆ StickingRate() [1/2]

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

inline

Constructor based on AnyMap content.

Definition at line 463 of file InterfaceRate.h.

◆ StickingRate() [2/2]

StickingRate ( const AnyMap & node )

inlineexplicit

Definition at line 467 of file InterfaceRate.h.

Member Function Documentation

◆ newMultiRate()

unique_ptr< MultiRateBase > newMultiRate ( ) const

inlineoverride

Definition at line 472 of file InterfaceRate.h.

◆ type()

virtual const std::string type ( ) const

inlineoverridevirtual

Identifier of reaction rate type.

Definition at line 478 of file InterfaceRate.h.

◆ setParameters()

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

inlineoverridevirtual

Definition at line 482 of file InterfaceRate.h.

◆ getParameters()

virtual void getParameters ( AnyMap & node ) const

inlineoverridevirtual

Definition at line 496 of file InterfaceRate.h.

◆ setContext()

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

inlineoverridevirtual

Definition at line 511 of file InterfaceRate.h.

◆ validate()

virtual void validate	(	const std::string &	equation,
		const Kinetics &	kin
	)

inlineoverridevirtual

Definition at line 517 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 536 of file InterfaceRate.h.

References StickingRate< RateType, DataType >::_update(), StickingCoverage::m_factor, InterfaceRateBase::m_siteDensity, StickingCoverage::m_surfaceOrder, 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 544 of file InterfaceRate.h.

References InterfaceRateBase::m_acov, InterfaceRateBase::m_chargeTransfer, InterfaceRateBase::m_ecov, StickingCoverage::m_factor, InterfaceRateBase::m_mcov, StickingCoverage::m_motzWise, StickingCoverage::m_multiplier, 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 561 of file InterfaceRate.h.

◆ preExponentialFactor()

virtual double preExponentialFactor ( ) const

inlineoverridevirtual

Definition at line 565 of file InterfaceRate.h.

◆ activationEnergy()

virtual double activationEnergy ( ) const

inlineoverridevirtual

Definition at line 570 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 579 of file InterfaceRate.h.

Referenced by StickingRate< 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 587 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

◆ StickingRate() [1/2]

◆ StickingRate() [2/2]

Member Function Documentation

◆ newMultiRate()

◆ type()

◆ setParameters()

◆ getParameters()

◆ setContext()

◆ validate()

◆ updateFromStruct()

◆ evalFromStruct()

◆ ddTScaledFromStruct()

◆ preExponentialFactor()

◆ activationEnergy()

◆ _update() [1/2]

◆ _update() [2/2]