Two temperature plasma reaction rate type depends on both gas temperature and electron temperature. More...

#include <TwoTempPlasmaRate.h>

Inheritance diagram for TwoTempPlasmaRate:

Detailed Description

Two temperature plasma reaction rate type depends on both gas temperature and electron temperature.

The form of the two temperature plasma reaction rate coefficient is similar to an Arrhenius reaction rate coefficient. The temperature exponent (b) is applied to the electron temperature instead. In addition, the exponential term with activation energy for electron is included.

\[ k_f = A T^{b_g} T_e^b \exp\left(-\frac{E_{a,g}}{RT}\right) \exp\left(\frac{E_{a,e}(T_e - T)}{R T T_e}\right) \exp\left(-\frac{T}{T_\mathrm{inv}}\right) \]

where \( T_e \) is the electron temperature, \( E_{a,g} \) is the activation energy for gas, and \( E_{a,e} \) is the activation energy for electron, see Kossyi, et al. [25]. The Kossyi parameterization is generalized by the addition of two optional terms, the optional gas temperature exponent \( b_g \) (defaulting to 0) and the optional temperature scale \( T_\mathrm{inv} \) [4]. The term \( \exp(-T/T_\mathrm{inv}) \) is active only if a value is provided for \( T_\mathrm{inv} \).

Definition at line 67 of file TwoTempPlasmaRate.h.

Public Member Functions
	TwoTempPlasmaRate (double A, double b, double Ea=0.0, double EE=0.0, double bg=0.0, double Tinv=0.0)
	Constructor.
	TwoTempPlasmaRate (const AnyMap &node, const UnitStack &rate_units={})
	Constructor based on an AnyMap object instead of all parameters directly.
void	setParameters (const AnyMap &node, const UnitStack &rate_units) override
	Set parameters from an AnyMap object.
unique_ptr< MultiRateBase >	newMultiRate () const override
	Creates a new two-temperature-plasma reaction.
const string	type () const override
	Returns the reaction type.
void	setContext (const Reaction &rxn, const Kinetics &kin) override
	Check that the reaction does not have the 'reversible: true' attribute.
double	evalFromStruct (const TwoTempPlasmaData &shared_data) const
	Evaluates reaction rate.
double	ddTScaledFromStruct (const TwoTempPlasmaData &shared_data) const
	Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.
double	activationElectronEnergy () const
	Return the electron activation energy Ea [J/kmol].
Public Member Functions inherited from ArrheniusBase
	ArrheniusBase ()
	Default constructor.
	ArrheniusBase (double A, double b, double Ea)
	Constructor.
	ArrheniusBase (const AnyValue &rate, const UnitSystem &units, const UnitStack &rate_units)
	Constructor based on AnyValue content.
	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.
void	getRateParameters (AnyMap &node) const
	Get Arrhenius parameters used to populate the rate-coefficient or equivalent field.
void	check (const string &equation) override
	Check rate expression.
void	validate (const string &equation, const Kinetics &kin) override
	Validate the reaction rate expression.
virtual double	preExponentialFactor () const
	Return the pre-exponential factor A (in m, kmol, s to powers depending on the reaction order).
virtual double	temperatureExponent () const
	Return the temperature exponent b.
virtual double	activationEnergy () const
	Return the activation energy Ea [J/kmol] The value corresponds to the constant specified by input parameters;.
double	order () const
	Return reaction order associated with the reaction rate.
void	setRateUnits (const UnitStack &rate_units) override
	Set units of 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.
Public Member Functions inherited from ReactionRate
	ReactionRate (const ReactionRate &other)
ReactionRate &	operator= (const ReactionRate &other)
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.
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
void	getParameters (AnyMap &node) const override
	Get parameters.

Protected Attributes
double	m_bg = 0.0
	Gas temperature exponent.
double	m_recip_Tinv = 0.0
	Reciprocate of the temperature scale for the optional term \( \exp(-T/T_\mathrm{inv}) \).
Protected Attributes inherited from ArrheniusBase
bool	m_negativeA_ok = false
	Permissible negative A values.
double	m_A = NAN
	Pre-exponential factor.
double	m_b = NAN
	Temperature exponent.
double	m_Ea_R = 0.
	Activation energy (in temperature units).
double	m_E4_R = 0.
	Optional 4th energy parameter (in temperature units).
double	m_logA = NAN
	Logarithm of pre-exponential factor.
double	m_order = NAN
	Reaction order.
string	m_A_str = "A"
	The string for the pre-exponential factor.
string	m_b_str = "b"
	The string for temperature exponent.
string	m_Ea_str = "Ea"
	The string for activation energy.
string	m_E4_str = ""
	The string for an optional 4th parameter.
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

◆ TwoTempPlasmaRate() [1/3]

TwoTempPlasmaRate ( )

Definition at line 48 of file TwoTempPlasmaRate.cpp.

◆ TwoTempPlasmaRate() [2/3]

TwoTempPlasmaRate	(	double	A,
		double	b,
		double	Ea = 0.0,
		double	EE = 0.0,
		double	bg = 0.0,
		double	Tinv = 0.0 )

Constructor.

Parameters

A	Pre-exponential factor. The unit system is (kmol, m, s); actual units depend on the reaction order and the dimensionality (surface or bulk).
b	Electron temperature exponent (non-dimensional).
Ea	Activation energy in energy units [J/kmol]. Defaults to 0.
EE	Activation electron energy in energy units [J/kmol]. Defaults to 0.
bg	Optional. Gas temperature exponent (non-dimensional). Defaults to 0.
Tinv	Optional. Temperature scale for the term \( \exp(-T/T_\mathrm{inv}) \) [K]. If zero, this term is omitted. Defaults to 0.

Definition at line 54 of file TwoTempPlasmaRate.cpp.

◆ TwoTempPlasmaRate() [3/3]

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

Constructor based on an AnyMap object instead of all parameters directly.

Definition at line 67 of file TwoTempPlasmaRate.cpp.

Member Function Documentation

◆ setParameters()

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

overridevirtual

Set parameters from an AnyMap object.

Reimplemented from ArrheniusBase.

Definition at line 94 of file TwoTempPlasmaRate.cpp.

◆ newMultiRate()

unique_ptr< MultiRateBase > newMultiRate ( ) const

inlineoverridevirtual

Creates a new two-temperature-plasma reaction.

Reimplemented from ReactionRate.

Definition at line 94 of file TwoTempPlasmaRate.h.

◆ type()

const string type ( ) const

inlineoverridevirtual

Returns the reaction type.

Implements ReactionRate.

Definition at line 99 of file TwoTempPlasmaRate.h.

◆ setContext()

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

overridevirtual

Check that the reaction does not have the 'reversible: true' attribute.

Reimplemented from ReactionRate.

Definition at line 163 of file TwoTempPlasmaRate.cpp.

◆ evalFromStruct()

double evalFromStruct ( const TwoTempPlasmaData & shared_data ) const

inline

Evaluates reaction rate.

Parameters

shared_data data shared by all reactions of a given type.

Definition at line 110 of file TwoTempPlasmaRate.h.

◆ ddTScaledFromStruct()

double ddTScaledFromStruct ( const TwoTempPlasmaData & shared_data ) const

Evaluate derivative of reaction rate with respect to temperature divided by reaction rate.

This method does not consider changes of electron temperature. A corresponding warning is raised.

Parameters

shared_data data shared by all reactions of a given type.

Definition at line 155 of file TwoTempPlasmaRate.cpp.

◆ activationElectronEnergy()

double activationElectronEnergy ( ) const

inline

Return the electron activation energy Ea [J/kmol].

Definition at line 130 of file TwoTempPlasmaRate.h.

◆ getParameters()

void getParameters ( AnyMap & node ) const

overrideprotectedvirtual

Get parameters.

Reimplemented from ArrheniusBase.

Definition at line 73 of file TwoTempPlasmaRate.cpp.

Member Data Documentation

◆ m_bg

double m_bg = 0.0

protected

Gas temperature exponent.

Definition at line 139 of file TwoTempPlasmaRate.h.

◆ m_recip_Tinv

double m_recip_Tinv = 0.0

protected

Reciprocate of the temperature scale for the optional term \( \exp(-T/T_\mathrm{inv}) \).

A value of zero disables this term.

Definition at line 146 of file TwoTempPlasmaRate.h.

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

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ TwoTempPlasmaRate() [1/3]

◆ TwoTempPlasmaRate() [2/3]

◆ TwoTempPlasmaRate() [3/3]

Member Function Documentation

◆ setParameters()

◆ newMultiRate()

◆ type()

◆ setContext()

◆ evalFromStruct()

◆ ddTScaledFromStruct()

◆ activationElectronEnergy()

◆ getParameters()

Member Data Documentation

◆ m_bg

◆ m_recip_Tinv