From 4fe752f5f2c39978920fd0cc093cff9256f54323 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Wed, 8 Oct 2014 16:54:18 +0000 Subject: [PATCH] [Kinetics] Fix calculation of coverage-dependent reaction rates The formula used was not consistent with the standard formulation for coverage-dependent reaction rates, which uses 10 as the base for the temperature-independent term with the coverage in the exponential (see Eq. 11.113 of Kee et al.). The impact of this change should be minor, as most coverage-dependent reaction rates appear not to use this term of the parameterization. --- include/cantera/kinetics/RxnRates.h | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/include/cantera/kinetics/RxnRates.h b/include/cantera/kinetics/RxnRates.h index 6a41e162b..4d418f209 100644 --- a/include/cantera/kinetics/RxnRates.h +++ b/include/cantera/kinetics/RxnRates.h @@ -132,9 +132,9 @@ protected: * The rate expression is given by: * \f[ * k_f = A T^b \exp \left( - * \sum a_k \theta_k + * \ln 10 \sum a_k \theta_k * - \frac{1}{RT} \left( E_a + \sum E_k\theta_k \right) - * + \sum m_k \log \theta_k + * + \sum m_k \ln \theta_k * \right) * \f] * where the parameters \f$ (a_k, E_k, m_k) \f$ describe the dependency on the @@ -236,7 +236,8 @@ public: * factor. */ doublereal updateRC(doublereal logT, doublereal recipT) const { - return m_A * std::exp(m_acov + m_b*logT - (m_E + m_ecov)*recipT + m_mcov); + return m_A * std::exp(std::log(10.0)*m_acov + m_b*logT - + (m_E + m_ecov)*recipT + m_mcov); } doublereal activationEnergy_R() const {