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[Kinetics] Remove the deprecated 'WF93' Falloff function

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This commit is contained in:
Ray Speth 2013-12-16 23:22:09 +00:00
parent fc2d7e4ce0
commit 28dbcf072e
2 changed files with 0 additions and 124 deletions
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1
include/cantera/kinetics/reaction_defs.h
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@ -107,7 +107,6 @@ const int TROE3_FALLOFF = 110;
const int TROE4_FALLOFF = 111;
const int SRI3_FALLOFF = 112;
const int SRI5_FALLOFF = 113;
const int WF_FALLOFF = 114;
//@}
}

123
src/kinetics/FalloffFactory.cpp
View file

@ -387,126 +387,6 @@ protected:
doublereal m_e;
};
//! Wang-Frenklach falloff function.
/*!
* The falloff function defines the value of \f$ F \f$ in the following
* rate expression
*
* \f[ k = k_{\infty} \left( \frac{P_r}{1 + P_r} \right) F \f]
* where
* \f[ P_r = \frac{k_0 [M]}{k_{\infty}} \f]
*
* \f[ F = 10.0^{Flog} \f]
* where
* \f[ Flog = \frac{\log_{10} F_{cent}}{\exp{(\frac{\log_{10} P_r - \alpha}{\sigma})^2}} \f]
* where
* \f[ F_{cent} = (1 - A)\exp(-T/T_3) + A \exp(-T/T_1) + \exp(-T/T_2) \f]
*
* \f[ \alpha = \alpha_0 + \alpha_1 T + \alpha_2 T^2 \f]
*
* \f[ \sigma = \sigma_0 + \sigma_1 T + \sigma_2 T^2 \f]
*
* Reference: Wang, H., and Frenklach, M., Chem. Phys. Lett. vol. 205, 271 (1993).
*
* @ingroup falloffGroup
* @deprecated
*/
class WF93 : public Falloff
{
public:
//! Default constructor
WF93() {
warn_deprecated("class WF93", "To be removed in Cantera 2.2.");
}
//! Initialization routine
/*!
* @param c Vector of 10 doubles with the following ordering: a, T_1,
* T_2, T_3, alpha0, alpha1, alpha2 sigma0, sigma1, sigma2
*/
virtual void init(const vector_fp& c) {
m_a = c[0];
m_rt1 = 1.0/c[1];
m_t2 = c[2];
m_rt3 = 1.0/c[3];
m_alpha0 = c[4];
m_alpha1 = c[5];
m_alpha2 = c[6];
m_sigma0 = c[7];
m_sigma1 = c[8];
m_sigma2 = c[9];
}
//! Update the temperature parameters in the representation
/*!
* The workspace has a length of three
*
* @param T Temperature (Kelvin)
* @param work Vector of working space representing
* the temperature dependent part of the
* parameterization.
*/
virtual void updateTemp(doublereal T, doublereal* work) const {
work[0] = m_alpha0 + (m_alpha1 + m_alpha2*T)*T; // alpha
work[1] = m_sigma0 + (m_sigma1 + m_sigma2*T)*T; // sigma
doublereal Fcent = (1.0 - m_a) * exp(- T * m_rt3)
+ m_a * exp(- T * m_rt1) + exp(-m_t2/T);
work[2] = log10(Fcent);
}
virtual doublereal F(doublereal pr, const doublereal* work) const {
doublereal lpr = log10(std::max(pr, SmallNumber));
doublereal x = (lpr - work[0])/work[1];
doublereal flog = work[2]/exp(x*x);
return pow(10.0, flog);
}
virtual size_t workSize() {
return 3;
}
protected:
//! Value of the \f$ \alpha_0 \f$ coefficient. This is the fifth
//! coefficient in the xml list.
doublereal m_alpha0;
//! Value of the \f$ \alpha_1 \f$ coefficient. This is the 6th coefficient
//! in the xml list.
doublereal m_alpha1;
//! Value of the \f$ \alpha_2 \f$ coefficient. This is the 7th coefficient
//! in the xml list.
doublereal m_alpha2;
//! Value of the \f$ \sigma_0 \f$ coefficient. This is the 8th coefficient
//! in the xml list.
doublereal m_sigma0;
//! Value of the \f$ \sigma_1 \f$ coefficient. This is the 9th coefficient
//! in the xml list.
doublereal m_sigma1;
//! Value of the \f$ \sigma_2 \f$ coefficient. This is the 10th
//! coefficient in the xml list.
doublereal m_sigma2;
//! Value of the \f$ a \f$ coefficient. This is the first coefficient in
//! the xml list.
doublereal m_a;
//! Value of inverse of the \f$ t1 \f$ coefficient. This is the second
//! coefficient in the xml list.
doublereal m_rt1;
//! Value of the \f$ t2 \f$ coefficient. This is the third coefficient in
//! the xml list.
doublereal m_t2;
//! Value of the inverse of the \f$ t3 \f$ coefficient. This is the 4th
//! coefficient in the xml list.
doublereal m_rt3;
};
Falloff* FalloffFactory::newFalloff(int type, const vector_fp& c)
{
Falloff* f;
@ -526,9 +406,6 @@ Falloff* FalloffFactory::newFalloff(int type, const vector_fp& c)
case SRI5_FALLOFF:
f = new SRI5();
break;
case WF_FALLOFF:
f = new WF93();
break;
default:
return 0;
}