diff --git a/include/cantera/kinetics/reaction_defs.h b/include/cantera/kinetics/reaction_defs.h index 62c54d0cc..567d9618c 100644 --- a/include/cantera/kinetics/reaction_defs.h +++ b/include/cantera/kinetics/reaction_defs.h @@ -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; //@} } diff --git a/src/kinetics/FalloffFactory.cpp b/src/kinetics/FalloffFactory.cpp index 023dff29c..3200b5b0c 100644 --- a/src/kinetics/FalloffFactory.cpp +++ b/src/kinetics/FalloffFactory.cpp @@ -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; }