The SRI falloff function. More...

#include <Falloff.h>

Inheritance diagram for SRI:

Collaboration diagram for SRI:

Public Member Functions
	SRI ()
	Constructor. More...

virtual void	init (const vector_fp &c)
	Initialization of the object. More...

virtual void	updateTemp (doublereal T, doublereal *work) const
	Update the temperature parameters in the representation. More...

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

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

virtual std::string	type () const
	Return a string representing the type of the Falloff parameterization. More...

virtual int	getType () const
	Return an integer representing the type of the Falloff parameterization. More...

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

virtual void	getParameters (double *params) const
	Sets params to contain, in order,. More...

Protected Attributes
doublereal	m_a
	parameter a in the 5-parameter SRI falloff function. Dimensionless. More...

doublereal	m_b
	parameter b in the 5-parameter SRI falloff function. [K] More...

doublereal	m_c
	parameter c in the 5-parameter SRI falloff function. [K] More...

doublereal	m_d
	parameter d in the 5-parameter SRI falloff function. Dimensionless. More...

doublereal	m_e
	parameter d in the 5-parameter SRI falloff function. Dimensionless. More...

Detailed Description

The SRI falloff function.

The falloff function defines the value of \( F \) in the following rate expression

\[ k = k_{\infty} \left( \frac{P_r}{1 + P_r} \right) F \]

where

\[ P_r = \frac{k_0 [M]}{k_{\infty}} \]

\[ F = {\left( a \; exp(\frac{-b}{T}) + exp(\frac{-T}{c})\right)}^n \; d \; T^e \]

where

\[ n = \frac{1.0}{1.0 + (\log_{10} P_r)^2} \]

\( c \) s required to greater than or equal to zero. If it is zero, then the corresponding term is set to zero.

\( d \) is required to be greater than zero.

Definition at line 212 of file Falloff.h.

Constructor & Destructor Documentation

◆ SRI()

SRI ( )

inline

Constructor.

Definition at line 216 of file Falloff.h.

Member Function Documentation

◆ init()

void init ( const vector_fp & c )

virtual

Initialization of the object.

Parameters

c	Vector of three or five doubles: The doubles are the parameters, a, b, c, d (optional; default 1.0), and e (optional; default 0.0) of the SRI parameterization

Reimplemented from Falloff.

Definition at line 86 of file Falloff.cpp.

References SRI::m_a, SRI::m_b, SRI::m_c, SRI::m_d, and SRI::m_e.

◆ updateTemp()

void updateTemp	(	doublereal	T,
		doublereal *	work
	)		const

virtual

Update the temperature parameters in the representation.

Parameters

T	Temperature (Kelvin)
work	Vector of working space, length 2, representing the temperature-dependent part of the parameterization.

Reimplemented from Falloff.

Definition at line 115 of file Falloff.cpp.

◆ F()

double F	(	doublereal	pr,
		const doublereal *	work
	)		const

virtual

The falloff function.

This is defined so that the rate coefficient is

\[ k = F(Pr)\frac{Pr}{1 + Pr}. \]

Here \( Pr \) is the reduced pressure, defined by

\[ Pr = \frac{k_0 [M]}{k_\infty}. \]

Parameters

pr	reduced pressure (dimensionless).
work	array of size workSize() containing cached temperature-dependent intermediate results from a prior call to updateTemp.

Returns: the value of the falloff function \( F \) defined above

Reimplemented from Falloff.

Definition at line 124 of file Falloff.cpp.

References Cantera::SmallNumber.

◆ workSize()

virtual size_t workSize ( )

inlinevirtual

The size of the work array required.

Reimplemented from Falloff.

Definition at line 236 of file Falloff.h.

◆ type()

virtual std::string type ( ) const

inlinevirtual

Return a string representing the type of the Falloff parameterization.

Reimplemented from Falloff.

Definition at line 240 of file Falloff.h.

◆ getType()

virtual int getType ( ) const

inlinevirtual

Return an integer representing the type of the Falloff parameterization.

Deprecated:: To be removed after Cantera 2.5.

Reimplemented from Falloff.

Definition at line 244 of file Falloff.h.

References Cantera::warn_deprecated().

◆ nParameters()

virtual size_t nParameters ( ) const

inlinevirtual

Returns the number of parameters used by this parameterization.

The values of these parameters can be obtained from getParameters().

Reimplemented from Falloff.

Definition at line 250 of file Falloff.h.

◆ getParameters()

void getParameters ( double * params ) const

virtual

Sets params to contain, in order,.

\[ (a, b, c, d, e) \]

Reimplemented from Falloff.

Definition at line 131 of file Falloff.cpp.

References SRI::m_a, SRI::m_b, SRI::m_c, SRI::m_d, and SRI::m_e.

Member Data Documentation

◆ m_a

doublereal m_a

protected

parameter a in the 5-parameter SRI falloff function. Dimensionless.

Definition at line 259 of file Falloff.h.

Referenced by SRI::getParameters(), and SRI::init().

◆ m_b

doublereal m_b

protected

parameter b in the 5-parameter SRI falloff function. [K]

Definition at line 262 of file Falloff.h.

Referenced by SRI::getParameters(), and SRI::init().

◆ m_c

doublereal m_c

protected

parameter c in the 5-parameter SRI falloff function. [K]

Definition at line 265 of file Falloff.h.

Referenced by SRI::getParameters(), and SRI::init().

◆ m_d

doublereal m_d

protected

parameter d in the 5-parameter SRI falloff function. Dimensionless.

Definition at line 268 of file Falloff.h.

Referenced by SRI::getParameters(), and SRI::init().

◆ m_e

doublereal m_e

protected

parameter d in the 5-parameter SRI falloff function. Dimensionless.

Definition at line 271 of file Falloff.h.

Referenced by SRI::getParameters(), and SRI::init().

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

Public Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ SRI()

Member Function Documentation

◆ init()

◆ updateTemp()

◆ F()

◆ workSize()

◆ type()

◆ getType()

◆ nParameters()

◆ getParameters()

Member Data Documentation

◆ m_a

◆ m_b

◆ m_c

◆ m_d

◆ m_e