Cantera  2.2.1

The SRI falloff function. More...

#include <Falloff.h>

Inheritance diagram for SRI:
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Collaboration diagram for SRI:
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## 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 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,

$(a, b, c, d, e)$

## 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

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

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

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 191 of file Falloff.h.

## Constructor & Destructor Documentation

 SRI ( )
inline

Constructor.

Definition at line 195 of file Falloff.h.

## Member Function Documentation

 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 72 of file Falloff.cpp.

References Cantera::fp2str(), Cantera::int2str(), SRI::m_a, SRI::m_b, SRI::m_c, SRI::m_d, and SRI::m_e.

 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 101 of file Falloff.cpp.

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

 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
Returns the value of the falloff function $$F$$ defined above

Reimplemented from Falloff.

Definition at line 110 of file Falloff.cpp.

References Cantera::SmallNumber.

 virtual size_t workSize ( )
inlinevirtual

The size of the work array required.

Reimplemented from Falloff.

Definition at line 215 of file Falloff.h.

 virtual int getType ( ) const
inlinevirtual

Return an integer representing the type of the Falloff parameterization.

Reimplemented from Falloff.

Definition at line 219 of file Falloff.h.

 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 223 of file Falloff.h.

 void getParameters ( double * params ) const
virtual

Sets params to contain, in order,

$(a, b, c, d, e)$

.

Reimplemented from Falloff.

Definition at line 117 of file Falloff.cpp.

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

## Member Data Documentation

 doublereal m_a
protected

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

Definition at line 232 of file Falloff.h.

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

 doublereal m_b
protected

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

Definition at line 235 of file Falloff.h.

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

 doublereal m_c
protected

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

Definition at line 238 of file Falloff.h.

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

 doublereal m_d
protected

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

Definition at line 241 of file Falloff.h.

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

 doublereal m_e
protected

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

Definition at line 244 of file Falloff.h.

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

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