Detailed Description

The Lindemann falloff parameterization.

This class implements the trivial falloff function F = 1.0 [20].

Definition at line 271 of file Falloff.h.

Public Member Functions
	LindemannRate (const AnyMap &node, const UnitStack &rate_units={})

	LindemannRate (const ArrheniusRate &low, const ArrheniusRate &high, const vector< double > &c)

unique_ptr< MultiRateBase >	newMultiRate () const override
	Create a rate evaluator for reactions of a particular derived type.

const string	subType () const override
	String identifying sub-type of reaction rate specialization.

Public Member Functions inherited from FalloffRate
	FalloffRate (const AnyMap &node, const UnitStack &rate_units={})

void	init (const vector< double > &c)
	Initialize.

virtual void	setFalloffCoeffs (const vector< double > &c)
	Set coefficients of the falloff parameterization.

virtual void	getFalloffCoeffs (vector< double > &c) const
	Retrieve coefficients of the falloff parameterization.

virtual void	updateTemp (double T, double *work) const
	Update the temperature-dependent portions of the falloff function, if any, and store them in the 'work' array.

virtual double	F (double pr, const double *work) const
	The falloff function.

double	evalF (double T, double conc3b)
	Evaluate falloff function at current conditions.

virtual size_t	workSize () const
	The size of the work array required.

const string	type () const override
	String identifying reaction rate specialization.

virtual size_t	nParameters () const
	Returns the number of parameters used by this parameterization.

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

virtual void	getParameters (double *params) const
	Get the values of the parameters for this object.

void	getParameters (AnyMap &node) const override
	Get parameters.

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

void	check (const string &equation) override
	Check basic syntax and settings of reaction rate expression.

void	validate (const string &equation, const Kinetics &kin) override
	Validate the reaction rate expression.

bool	allowNegativePreExponentialFactor () const
	Get flag indicating whether negative A values are permitted.

void	setAllowNegativePreExponentialFactor (bool value)
	Set flag indicating whether negative A values are permitted.

bool	chemicallyActivated () const
	Get flag indicating whether reaction is chemically activated.

void	setChemicallyActivated (bool activated)
	Set flag indicating whether reaction is chemically activated.

ArrheniusRate &	lowRate ()
	Get reaction rate in the low-pressure limit.

void	setLowRate (const ArrheniusRate &low)
	Set reaction rate in the low-pressure limit.

ArrheniusRate &	highRate ()
	Get reaction rate in the high-pressure limit.

void	setHighRate (const ArrheniusRate &high)
	Set reaction rate in the high-pressure limit.

Public Member Functions inherited from ReactionRate
	ReactionRate (const ReactionRate &other)

ReactionRate &	operator= (const ReactionRate &other)

virtual unique_ptr< MultiRateBase >	newMultiRate () const
	Create a rate evaluator for reactions of a particular derived type.

virtual const string	type () const =0
	String identifying reaction rate specialization.

virtual const string	subType () const
	String identifying sub-type of reaction rate specialization.

virtual void	setParameters (const AnyMap &node, const UnitStack &units)
	Set parameters.

AnyMap	parameters () const
	Return the parameters such that an identical Reaction could be reconstructed using the newReaction() function.

const Units &	conversionUnits () const
	Get the units for converting the leading term in the reaction rate expression.

virtual void	setRateUnits (const UnitStack &rate_units)
	Set the units of the reaction rate expression.

virtual void	check (const string &equation)
	Check basic syntax and settings of reaction rate expression.

void	check (const string &equation, const AnyMap &node)
	Check basic syntax and settings of reaction rate expression.

virtual void	validate (const string &equation, const Kinetics &kin)
	Validate the reaction rate expression.

virtual void	validate (const string &equation)
	Validate the reaction rate expression (legacy call)

size_t	rateIndex () const
	Reaction rate index within kinetics evaluator.

void	setRateIndex (size_t idx)
	Set reaction rate index within kinetics evaluator.

virtual void	setContext (const Reaction &rxn, const Kinetics &kin)
	Set context of reaction rate evaluation.

double	eval (double T)
	Evaluate reaction rate based on temperature.

double	eval (double T, double extra)
	Evaluate reaction rate based on temperature and an extra parameter.

double	eval (double T, const vector< double > &extra)
	Evaluate reaction rate based on temperature and an extra vector parameter.

bool	valid () const
	Get flag indicating whether reaction rate is set up correctly.

bool	compositionDependent ()
	Boolean indicating whether rate has compositional dependence.

void	setCompositionDependence (bool comp_dep)
	Set rate compositional dependence.

Additional Inherited Members
virtual void	getParameters (AnyMap &node) const
	Get parameters.

Protected Attributes inherited from FalloffRate
ArrheniusRate	m_lowRate
	The reaction rate in the low-pressure limit.

ArrheniusRate	m_highRate
	The reaction rate in the high-pressure limit.

bool	m_chemicallyActivated = false
	Flag labeling reaction as chemically activated.

bool	m_negativeA_ok = false
	Flag indicating whether negative A values are permitted.

double	m_rc_low = NAN
	Evaluated reaction rate in the low-pressure limit.

double	m_rc_high = NAN
	Evaluated reaction rate in the high-pressure limit.

vector< double >	m_work
	Work vector.

Protected Attributes inherited from ReactionRate
AnyMap	m_input
	Input data used for specific models.

size_t	m_rate_index = npos
	Index of reaction rate within kinetics evaluator.

bool	m_valid = false
	Flag indicating whether reaction rate is set up correctly.

bool	m_composition_dependent_rate = false
	Flag indicating composition dependent rate.

Units	m_conversion_units {0.}
	Units of the leading term in the reaction rate expression.

Constructor & Destructor Documentation

◆ LindemannRate() [1/2]

LindemannRate	(	const AnyMap &	node,
		const UnitStack &	rate_units = `{}`
	)

Definition at line 210 of file Falloff.cpp.

◆ LindemannRate() [2/2]

LindemannRate	(	const ArrheniusRate &	low,
		const ArrheniusRate &	high,
		const vector< double > &	c
	)

Definition at line 216 of file Falloff.cpp.

Member Function Documentation

◆ newMultiRate()

unique_ptr< MultiRateBase > newMultiRate ( ) const

inlineoverridevirtual

Create a rate evaluator for reactions of a particular derived type.

Derived classes usually implement this as:

unique_ptr<MultiRateBase> newMultiRate() const override {

return make_unique<MultiRate<RateType, DataType>>();

Cantera::LindemannRate::newMultiRate

unique_ptr< MultiRateBase > newMultiRate() const override

Create a rate evaluator for reactions of a particular derived type.

Definition Falloff.h:281

where RateType is the derived class name and DataType is the corresponding container for parameters needed to evaluate reactions of that type.

Reimplemented from ReactionRate.

Definition at line 281 of file Falloff.h.

◆ subType()

const string subType ( ) const

inlineoverridevirtual

String identifying sub-type of reaction rate specialization.

Reimplemented from ReactionRate.

Definition at line 285 of file Falloff.h.

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