Arrhenius reaction rate type depends only on temperature. More...

#include <RxnRates.h>

Inheritance diagram for Arrhenius2:

Collaboration diagram for Arrhenius2:

Public Member Functions
	Arrhenius2 ()
	Default constructor. More...

	Arrhenius2 (doublereal A, doublereal b, doublereal E)
	Constructor. More...

	Arrhenius2 (const AnyValue &rate, const UnitSystem &units, const Units &rate_units)
	Constructor based on AnyMap content. More...

	Arrhenius2 (const ArrheniusRate &other)
	Converting constructor (to facilitate back-ward compatibility) More...

void	setRateParameters (const AnyValue &rate, const UnitSystem &units, const Units &rate_units)

void	getParameters (AnyMap &node, const Units &rate_units) const
	Return parameters - two-parameter version. More...

void	update_C (const doublereal *c)
	Update concentration-dependent parts of the rate coefficient. More...

doublereal	updateLog (doublereal logT, doublereal recipT) const
	Update the value of the natural logarithm of the rate constant. More...

doublereal	updateRC (doublereal logT, doublereal recipT) const
	Update the value the rate constant. More...

virtual const std::string	type () const override
	String identifying reaction rate specialization. More...

double	activationEnergy_R () const
	Return the activation energy divided by the gas constant (that is, the activation temperature) [K]. More...

Public Member Functions inherited from ArrheniusRate
unique_ptr< MultiRateBase >	newMultiRate () const override
	Create a rate evaluator for reactions of a particular derived type. More...

double	evalRate (double logT, double recipT) const
	Evaluate reaction rate. More...

double	evalLog (double logT, double recipT) const
	Evaluate natural logarithm of the rate constant. More...

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

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

	ArrheniusBase ()
	Default constructor. More...

	ArrheniusBase (double A, double b, double Ea)
	Constructor. More...

	ArrheniusBase (const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units)
	Constructor based on AnyValue content. More...

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

Public Member Functions inherited from ArrheniusBase
	ArrheniusBase ()
	Default constructor. More...

	ArrheniusBase (double A, double b, double Ea)
	Constructor. More...

	ArrheniusBase (const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units)
	Constructor based on AnyValue content. More...

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

void	setRateParameters (const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units)
	Perform object setup based on AnyValue node information. More...

void	getRateParameters (AnyMap &node) const
	Return parameters. More...

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

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

virtual void	check (const std::string &equation, const AnyMap &node) override
	Check rate expression. More...

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

virtual double	preExponentialFactor () const
	Return the pre-exponential factor A (in m, kmol, s to powers depending on the reaction order) More...

virtual double	temperatureExponent () const
	Return the temperature exponent b More...

virtual double	activationEnergy () const
	Return the activation energy Ea [J/kmol] The value corresponds to the constant specified by input parameters;. More...

const Units &	rateUnits () const

double	order () const
	Return reaction order associated with the reaction rate. More...

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

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

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

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

ReactionRate &	operator= (const ReactionRate &other)

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

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

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

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

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

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

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

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

Additional Inherited Members
Protected Attributes inherited from ArrheniusBase
bool	m_negativeA_ok
	Flag indicating whether negative A values are permitted. More...

double	m_A
	Pre-exponential factor. More...

double	m_b
	Temperature exponent. More...

double	m_Ea_R
	Activation energy (in temperature units) More...

double	m_E4_R
	Optional 4th energy parameter (in temperature units) More...

double	m_logA
	Logarithm of pre-exponential factor. More...

double	m_order
	Reaction order. More...

std::string	m_A_str = "A"
	The string for temperature exponent. More...

std::string	m_b_str = "b"
	The string for temperature exponent. More...

std::string	m_Ea_str = "Ea"
	The string for activation energy. More...

std::string	m_E4_str = ""
	The string for an optional 4th parameter. More...

Units	m_rate_units
	Reaction rate units. More...

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

size_t	m_rate_index
	Index of reaction rate within kinetics evaluator. More...

Detailed Description

Arrhenius reaction rate type depends only on temperature.

A reaction rate coefficient of the following form.

\[ k_f = A T^b \exp (-E/RT) \]

Deprecated:: To be removed after Cantera 2.6. See ArrheniusRate.

Definition at line 41 of file RxnRates.h.

Constructor & Destructor Documentation

◆ Arrhenius2() [1/4]

Arrhenius2 ( )

Default constructor.

Definition at line 11 of file RxnRates.cpp.

References ArrheniusBase::m_A, ArrheniusBase::m_b, and ArrheniusBase::m_logA.

◆ Arrhenius2() [2/4]

Arrhenius2	(	doublereal	A,
		doublereal	b,
		doublereal	E
	)

Constructor.

Parameters

A	pre-exponential. The unit system is (kmol, m, s). The actual units depend on the reaction order and the dimensionality (surface or bulk).
b	Temperature exponent. Non-dimensional.
E	Activation energy in temperature units. Kelvin.

Todo:: Add deprecation warning pointing out change of activation energy units.

Definition at line 19 of file RxnRates.cpp.

◆ Arrhenius2() [3/4]

Arrhenius2	(	const AnyValue &	rate,
		const UnitSystem &	units,
		const Units &	rate_units
	)

Constructor based on AnyMap content.

Definition at line 27 of file RxnRates.cpp.

◆ Arrhenius2() [4/4]

Arrhenius2 ( const ArrheniusRate & other )

Converting constructor (to facilitate back-ward compatibility)

Definition at line 33 of file RxnRates.cpp.

Member Function Documentation

◆ setRateParameters()

void setRateParameters	(	const AnyValue &	rate,
		const UnitSystem &	units,
		const Units &	rate_units
	)

Definition at line 40 of file RxnRates.cpp.

◆ getParameters()

void getParameters	(	AnyMap &	node,
		const Units &	rate_units
	)		const

Return parameters - two-parameter version.

Definition at line 50 of file RxnRates.cpp.

References Units::factor(), ArrheniusBase::m_A, ArrheniusBase::m_b, ArrheniusBase::m_Ea_R, ArrheniusBase::preExponentialFactor(), and AnyMap::setFlowStyle().

Referenced by ElementaryReaction2::getParameters(), and FalloffReaction2::getParameters().

◆ update_C()

void update_C ( const doublereal * c )

inline

Update concentration-dependent parts of the rate coefficient.

For this class, there are no concentration-dependent parts, so this method does nothing.

Definition at line 78 of file RxnRates.h.

◆ updateLog()

doublereal updateLog	(	doublereal	logT,
		doublereal	recipT
	)		const

inline

Update the value of the natural logarithm of the rate constant.

Definition at line 84 of file RxnRates.h.

References ArrheniusBase::m_b, ArrheniusBase::m_Ea_R, and ArrheniusBase::m_logA.

◆ updateRC()

doublereal updateRC	(	doublereal	logT,
		doublereal	recipT
	)		const

inline

Update the value the rate constant.

This function returns the actual value of the rate constant. It can be safely called for negative values of the pre-exponential factor.

Definition at line 94 of file RxnRates.h.

References ArrheniusBase::m_A, ArrheniusBase::m_b, and ArrheniusBase::m_Ea_R.

◆ type()

virtual const std::string type ( ) const

inlineoverridevirtual

String identifying reaction rate specialization.

Reimplemented from ArrheniusRate.

Definition at line 98 of file RxnRates.h.

◆ activationEnergy_R()

double activationEnergy_R ( ) const

inline

Return the activation energy divided by the gas constant (that is, the activation temperature) [K].

Definition at line 104 of file RxnRates.h.

References ArrheniusBase::m_Ea_R.

Referenced by InterfaceKinetics::buildSurfaceArrhenius().

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

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ Arrhenius2() [1/4]

◆ Arrhenius2() [2/4]

◆ Arrhenius2() [3/4]

◆ Arrhenius2() [4/4]

Member Function Documentation

◆ setRateParameters()

◆ getParameters()

◆ update_C()

◆ updateLog()

◆ updateRC()

◆ type()

◆ activationEnergy_R()