WF93 Class Reference
[Falloff Parameterizations]

Wang-Frenklach falloff function. More...

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List of all members.

Public Member Functions

 WF93 ()
 Default constructpr.
virtual ~WF93 ()
 Destructor.
virtual void init (const vector_fp &c)
 Initialization routine.
virtual void updateTemp (doublereal T, workPtr work) const
 Update the temperature parameters in the representation.
virtual doublereal F (doublereal pr, const_workPtr 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 575 of file FalloffFactory.cpp.

Constructor & Destructor Documentation

WF93 (  )  [inline]

Default constructpr.

Definition at line 580 of file FalloffFactory.cpp.

virtual ~WF93 (  )  [inline, virtual]

Destructor.

Definition at line 583 of file FalloffFactory.cpp.

Member Function Documentation

virtual doublereal F ( doublereal  pr,
const_workPtr  work 
) const [inline, virtual]

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 627 of file FalloffFactory.cpp.

References Cantera::fmaxx(), and Cantera::SmallNumber.

virtual void init ( const vector_fp &  c  )  [inline, virtual]

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 592 of file FalloffFactory.cpp.

References WF93::m_a, WF93::m_alpha0, WF93::m_alpha1, WF93::m_alpha2, WF93::m_rt1, WF93::m_rt3, WF93::m_sigma0, WF93::m_sigma1, WF93::m_sigma2, and WF93::m_t2.

virtual void updateTemp ( doublereal  T,
workPtr  work 
) const [inline, virtual]

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 614 of file FalloffFactory.cpp.

References WF93::m_a, WF93::m_alpha0, WF93::m_alpha1, WF93::m_alpha2, WF93::m_rt1, WF93::m_rt3, WF93::m_sigma0, WF93::m_sigma1, WF93::m_sigma2, and WF93::m_t2.

virtual size_t workSize (  )  [inline, virtual]

Utility function that returns the size of the workspace.

Implements Falloff.

Definition at line 635 of file FalloffFactory.cpp.

Member Data Documentation

doublereal m_a [protected]

Value of the $ a $ coefficient.

This is the first coefficient in the xml list

Definition at line 679 of file FalloffFactory.cpp.

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

doublereal m_alpha0 [protected]

Value of the $ \alpha_0 $ coefficient.

This is the fifth coefficient in the xml list

Definition at line 643 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 649 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 655 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 685 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 697 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 661 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 667 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 673 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 691 of file FalloffFactory.cpp.

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

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