Common implementation for vibrational relaxation reaction rates. More...

#include <VibrationalRelaxationRate.h>

Inheritance diagram for VibrationalRelaxationRate:

Detailed Description

Common implementation for vibrational relaxation reaction rates.

This intermediate class provides the common data storage and evaluation used by the concrete vibrational relaxation rate implementations.

Internally, the supported parameterizations are mapped to

\[k_f = A T^b \exp\left( C_0 + C_{1/3} T^{-1/3} + C_m T^{-m} + C_n T^{-n} \right). \]

Concrete derived classes are responsible for mapping their user-facing parameters onto this internal representation.

Vibrational relaxation rates are restricted to irreversible reactions.

Definition at line 67 of file VibrationalRelaxationRate.h.

Public Member Functions
void	setParameters (const AnyMap &node, const UnitStack &rate_units) override
	Set parameters.
void	setContext (const Reaction &rxn, const Kinetics &kin) override
	Set context of reaction rate evaluation.
double	evalFromStruct (const VibrationalRelaxationData &shared_data) const
double	ddTScaledFromStruct (const VibrationalRelaxationData &shared_data) const
	Evaluate the scaled temperature derivative.
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.
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.
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.
size_t	rateIndex () const
	Reaction rate index within kinetics evaluator.
void	setRateIndex (size_t idx)
	Set reaction rate index within kinetics evaluator.
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, span< const 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.

Protected Member Functions
	VibrationalRelaxationRate ()
	Default constructor.
	VibrationalRelaxationRate (double A, double b, double C0, double C13, double Cm, double m, double Cn, double n)
	Construct from the common internal representation.
void	getParameters (AnyMap &node) const override
	Write the fields shared by all vibrational relaxation rates, then delegate the model-specific rate-constant entries to getRateParameters().
virtual void	getRateParameters (AnyMap &rateNode) const =0
	Store the model-specific coefficients in the rate-constant node.
void	getPreExponentialFactor (AnyMap &rateNode) const

Static Protected Member Functions
static void	requireKeys (const AnyMap &node, const string &rateType, const string &where, std::initializer_list< string > keys)
static void	forbidKeys (const AnyMap &node, const string &rateType, const string &where, std::initializer_list< string > keys)

Protected Attributes
double	m_A = NAN
	Pre-exponential constant for the reaction rate.
double	m_b = NAN
	Temperature exponent for the reaction rate.
double	m_C0 = 0.0
	Dimensionless constant in the exponential.
double	m_C13 = 0.0
	Coefficient multiplying \( T^{-1/3} \).
double	m_Cm = 0.0
	Coefficient multiplying \( T^{-m} \).
double	m_m = 1.0
	Temperature exponent used by the Cm term.
double	m_Cn = 0.0
	Coefficient multiplying \( T^{-n} \).
double	m_n = 1.0
	Temperature exponent used by the Cn term.
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.

Private Attributes
bool	m_negativeA_ok = false
	Whether a negative leading coefficient is explicitly allowed.

Constructor & Destructor Documentation

◆ VibrationalRelaxationRate() [1/2]

VibrationalRelaxationRate ( )

protecteddefault

Default constructor.

◆ VibrationalRelaxationRate() [2/2]

VibrationalRelaxationRate	(	double	A,
		double	b,
		double	C0,
		double	C13,
		double	Cm,
		double	m,
		double	Cn,
		double	n )

protected

Construct from the common internal representation.

Parameters

A	Pre-exponential factor.
b	Temperature exponent.
C0	Constant exponential coefficient.
C13	Coefficient multiplying T^(-1/3).
Cm	Coefficient multiplying T^(-m).
m	Exponent associated with Cm.
Cn	Coefficient multiplying T^(-n).
n	Exponent associated with Cn.

Definition at line 41 of file VibrationalRelaxationRate.cpp.

Member Function Documentation

◆ setParameters()

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

overridevirtual

Set parameters.

Parameters

node	AnyMap object containing reaction rate specification
units	unit definitions specific to rate information

Reimplemented from ReactionRate.

Definition at line 50 of file VibrationalRelaxationRate.cpp.

◆ setContext()

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

overridevirtual

Set context of reaction rate evaluation.

Vibrational relaxation rates are intended for irreversible non-equilibrium plasma reactions. Reversible reactions are rejected because the reverse rate cannot be obtained from conventional thermochemistry for these models.

Reimplemented from ReactionRate.

Definition at line 98 of file VibrationalRelaxationRate.cpp.

◆ evalFromStruct()

double evalFromStruct ( const VibrationalRelaxationData & shared_data ) const

inline

Definition at line 81 of file VibrationalRelaxationRate.h.

◆ ddTScaledFromStruct()

double ddTScaledFromStruct ( const VibrationalRelaxationData & shared_data ) const

Evaluate the scaled temperature derivative.

This returns:

\[\frac{1}{k_f} \frac{d k_f}{dT} = \frac{d \ln k_f}{dT} \]

For the internal generic expression, this is:

\[\frac{b}{T} - \frac{C_{1/3}}{3} T^{-4/3} - m C_m T^{-m-1} - n C_n T^{-n-1} \]

Definition at line 88 of file VibrationalRelaxationRate.cpp.

◆ check()

void check ( const string & equation )

overridevirtual

Check basic syntax and settings of reaction rate expression.

Reimplemented from ReactionRate.

Definition at line 107 of file VibrationalRelaxationRate.cpp.

◆ validate()

void validate	(	const string &	equation,
		const Kinetics &	kin )

overridevirtual

Validate the reaction rate expression.

Reimplemented from ReactionRate.

Definition at line 126 of file VibrationalRelaxationRate.cpp.

◆ requireKeys()

void requireKeys	(	const AnyMap &	node,
		const string &	rateType,
		const string &	where,
		std::initializer_list< string >	keys )

staticprotected

Definition at line 137 of file VibrationalRelaxationRate.cpp.

◆ forbidKeys()

void forbidKeys	(	const AnyMap &	node,
		const string &	rateType,
		const string &	where,
		std::initializer_list< string >	keys )

staticprotected

Definition at line 154 of file VibrationalRelaxationRate.cpp.

◆ getParameters()

void getParameters ( AnyMap & node ) const

overrideprotectedvirtual

Write the fields shared by all vibrational relaxation rates, then delegate the model-specific rate-constant entries to getRateParameters().

Reimplemented from ReactionRate.

Definition at line 61 of file VibrationalRelaxationRate.cpp.

◆ getRateParameters()

virtual void getRateParameters ( AnyMap & rateNode ) const

protectedpure virtual

Store the model-specific coefficients in the rate-constant node.

Implemented in CastelaVibrationalRelaxationRate, ConstantVibrationalRelaxationRate, MultiStateResolvedVibrationalRelaxationRate, and StarikovskiyVibrationalRelaxationRate.

◆ getPreExponentialFactor()

void getPreExponentialFactor ( AnyMap & rateNode ) const

protected

Definition at line 77 of file VibrationalRelaxationRate.cpp.

Member Data Documentation

◆ m_A

double m_A = NAN

protected

Pre-exponential constant for the reaction rate.

Definition at line 159 of file VibrationalRelaxationRate.h.

◆ m_b

double m_b = NAN

protected

Temperature exponent for the reaction rate.

Definition at line 162 of file VibrationalRelaxationRate.h.

◆ m_C0

double m_C0 = 0.0

protected

Dimensionless constant in the exponential.

Definition at line 165 of file VibrationalRelaxationRate.h.

◆ m_C13

double m_C13 = 0.0

protected

Coefficient multiplying \( T^{-1/3} \).

Definition at line 168 of file VibrationalRelaxationRate.h.

◆ m_Cm

double m_Cm = 0.0

protected

Coefficient multiplying \( T^{-m} \).

Definition at line 171 of file VibrationalRelaxationRate.h.

◆ m_m

double m_m = 1.0

protected

Temperature exponent used by the Cm term.

Definition at line 174 of file VibrationalRelaxationRate.h.

◆ m_Cn

double m_Cn = 0.0

protected

Coefficient multiplying \( T^{-n} \).

Definition at line 177 of file VibrationalRelaxationRate.h.

◆ m_n

double m_n = 1.0

protected

Temperature exponent used by the Cn term.

Definition at line 180 of file VibrationalRelaxationRate.h.

◆ m_negativeA_ok

bool m_negativeA_ok = false

private

Whether a negative leading coefficient is explicitly allowed.

Definition at line 185 of file VibrationalRelaxationRate.h.

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

Detailed Description

Public Member Functions

Protected Member Functions

Static Protected Member Functions

Protected Attributes

Private Attributes

Constructor & Destructor Documentation

◆ VibrationalRelaxationRate() [1/2]

◆ VibrationalRelaxationRate() [2/2]

Member Function Documentation

◆ setParameters()

◆ setContext()

◆ evalFromStruct()

◆ ddTScaledFromStruct()

◆ check()

◆ validate()

◆ requireKeys()

◆ forbidKeys()

◆ getParameters()

◆ getRateParameters()

◆ getPreExponentialFactor()

Member Data Documentation

◆ m_A

◆ m_b

◆ m_C0

◆ m_C13

◆ m_Cm

◆ m_m

◆ m_Cn

◆ m_n

◆ m_negativeA_ok