Wang-Frenklach falloff function. More...

Inheritance diagram for WF93:

Collaboration diagram for WF93:

Public Member Functions
	WF93 ()
	Default constructor. More...

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

Public Member Functions inherited from Falloff
	Falloff ()
	Default constructor is empty. More...

virtual	~Falloff ()
	default destructor is empty More...

Protected Attributes
doublereal	m_alpha0
	Value of the \( \alpha_0 \) coefficient. More...

doublereal	m_alpha1
	Value of the \( \alpha_1 \) coefficient. More...

doublereal	m_alpha2
	Value of the \( \alpha_2 \) coefficient. More...

doublereal	m_sigma0
	Value of the \( \sigma_0 \) coefficient. More...

doublereal	m_sigma1
	Value of the \( \sigma_1 \) coefficient. More...

doublereal	m_sigma2
	Value of the \( \sigma_2 \) coefficient. More...

doublereal	m_a
	Value of the \( a \) coefficient. More...

doublereal	m_rt1
	Value of inverse of the \( t1 \) coefficient. More...

doublereal	m_t2
	Value of the \( t2 \) coefficient. More...

doublereal	m_rt3
	Value of the inverse of the \( t3 \) coefficient. More...

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).

Deprecated:

Definition at line 414 of file FalloffFactory.cpp.

Constructor & Destructor Documentation

WF93 ( )

inline

Default constructor.

Definition at line 418 of file FalloffFactory.cpp.

References Cantera::warn_deprecated().

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

Reimplemented from Falloff.

Definition at line 427 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,
		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 449 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 doublereal F	(	doublereal	pr,
		const doublereal *	work
	)		const

inlinevirtual

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.