Cantera  2.0
WF93 Class Reference

Wang-Frenklach falloff function. More...

Inheritance diagram for WF93:
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Collaboration diagram for WF93:
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## Public Member Functions

WF93 ()
Default constructor.

virtual ~WF93 ()
Destructor.

virtual void init (const vector_fp &c)
Initialization routine.

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

virtual doublereal F (doublereal pr, const doublereal *work) const
Function that returns F

virtual size_t workSize ()
Utility function that returns the size of the workspace.

## Protected Attributes

doublereal m_alpha0
Value of the $$\alpha_0$$ coefficient.

doublereal m_alpha1
Value of the $$\alpha_1$$ coefficient.

doublereal m_alpha2
Value of the $$\alpha_2$$ coefficient.

doublereal m_sigma0
Value of the $$\sigma_0$$ coefficient.

doublereal m_sigma1
Value of the $$\sigma_1$$ coefficient.

doublereal m_sigma2
Value of the $$\sigma_2$$ coefficient.

doublereal m_a
Value of the $$a$$ coefficient.

doublereal m_rt1
Value of inverse of the $$t1$$ coefficient.

doublereal m_t2
Value of the $$t2$$ coefficient.

doublereal m_rt3
Value of the inverse of the $$t3$$ coefficient.

## Detailed Description

Wang-Frenklach 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

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

$F = 10.0^{Flog}$

where

$Flog = \frac{\log_{10} F_{cent}}{\exp{(\frac{\log_{10} P_r - \alpha}{\sigma})^2}}$

where

$F_{cent} = (1 - A)\exp(-T/T_3) + A \exp(-T/T_1) + \exp(-T/T_2)$

$\alpha = \alpha_0 + \alpha_1 T + \alpha_2 T^2$

$\sigma = \sigma_0 + \sigma_1 T + \sigma_2 T^2$

Reference: Wang, H., and Frenklach, M., Chem. Phys. Lett. vol. 205, 271 (1993).

Definition at line 589 of file FalloffFactory.cpp.

## Constructor & Destructor Documentation

 WF93 ( )
inline

Default constructor.

Definition at line 595 of file FalloffFactory.cpp.

 virtual ~WF93 ( )
inlinevirtual

Destructor.

Definition at line 598 of file FalloffFactory.cpp.

## Member Function Documentation

 virtual void init ( const vector_fp & c )
inlinevirtual

Initialization routine.

Parameters
 c Vector of 10 doubles with the following ordering: a, T_1, T_2, T_3, alpha0, alpha1, alpha2 sigma0, sigma1, sigma2

Implements Falloff.

Definition at line 607 of file FalloffFactory.cpp.

 virtual void updateTemp ( doublereal T, doublereal * work ) const
inlinevirtual

Update the temperature parameters in the representation.

The workspace has a length of three

Parameters
 T Temperature (Kelvin) work Vector of working space representing the temperature dependent part of the parameterization.

Reimplemented from Falloff.

Definition at line 629 of file FalloffFactory.cpp.

 virtual doublereal F ( doublereal pr, const doublereal * work ) const
inlinevirtual

Function that returns F

Parameters
 pr Value of the reduced pressure for this reaction work Pointer to the previously saved work space

Implements Falloff.

Definition at line 642 of file FalloffFactory.cpp.

References ckr::max(), and Cantera::SmallNumber.

 virtual size_t workSize ( )
inlinevirtual

Utility function that returns the size of the workspace.

Implements Falloff.

Definition at line 650 of file FalloffFactory.cpp.

## Member Data Documentation

 doublereal m_alpha0
protected

Value of the $$\alpha_0$$ coefficient.

This is the fifth coefficient in the xml list

Definition at line 660 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_alpha1
protected

Value of the $$\alpha_1$$ coefficient.

This is the 6th coefficient in the xml list

Definition at line 666 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_alpha2
protected

Value of the $$\alpha_2$$ coefficient.

This is the 7th coefficient in the xml list

Definition at line 672 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_sigma0
protected

Value of the $$\sigma_0$$ coefficient.

This is the 8th coefficient in the xml list

Definition at line 678 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_sigma1
protected

Value of the $$\sigma_1$$ coefficient.

This is the 9th coefficient in the xml list

Definition at line 684 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_sigma2
protected

Value of the $$\sigma_2$$ coefficient.

This is the 10th coefficient in the xml list

Definition at line 690 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_a
protected

Value of the $$a$$ coefficient.

This is the first coefficient in the xml list

Definition at line 696 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_rt1
protected

Value of inverse of the $$t1$$ coefficient.

This is the second coefficient in the xml list

Definition at line 702 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_t2
protected

Value of the $$t2$$ coefficient.

This is the third coefficient in the xml list

Definition at line 708 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

 doublereal m_rt3
protected

Value of the inverse of the $$t3$$ coefficient.

This is the 4th coefficient in the xml list

Definition at line 714 of file FalloffFactory.cpp.

Referenced by WF93::init(), and WF93::updateTemp().

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