From 4022e408afe8ae3eaac7ecb9b2c01a2a47f94de8 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Mon, 4 May 2015 19:52:54 -0400 Subject: [PATCH] [Doc] Document interface reaction coverage dependencies Specifically, that the activation energy term is given in temperature units. --- include/cantera/kinetics/Reaction.h | 13 +++++++++---- include/cantera/kinetics/RxnRates.h | 4 ++++ 2 files changed, 13 insertions(+), 4 deletions(-) diff --git a/include/cantera/kinetics/Reaction.h b/include/cantera/kinetics/Reaction.h index 6c9cfa2f4..d491ace04 100644 --- a/include/cantera/kinetics/Reaction.h +++ b/include/cantera/kinetics/Reaction.h @@ -185,14 +185,19 @@ public: ChebyshevRate rate; }; - +//! Modifications to an InterfaceReaction rate based on a surface species +//! coverage. struct CoverageDependency { + //! Constructor + //! @param a_ modification to the pre-exponential factor [m, kmol, s units] + //! @param E_ modification to the activation energy [K] + //! @param m_ modification to the temperature exponent CoverageDependency(double a_, double E_, double m_) : a(a_), E(E_), m(m_) {} CoverageDependency() {} - double a; - double E; - double m; + double a; //!< modification to the pre-exponential factor [m, kmol, s units] + double E; //!< modification to the activation energy [K] + double m; //!< modification to the temperature exponent }; //! A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase) diff --git a/include/cantera/kinetics/RxnRates.h b/include/cantera/kinetics/RxnRates.h index 1869a239c..b4bb477b1 100644 --- a/include/cantera/kinetics/RxnRates.h +++ b/include/cantera/kinetics/RxnRates.h @@ -154,6 +154,10 @@ public: explicit SurfaceArrhenius(double A, double b, double Ta); explicit SurfaceArrhenius(const ReactionData& rdata); + //! Add a coverage dependency for species *k*, with pre-exponential + //! dependence *a*, temperature exponent dependence *m* and activation + //! energy dependence *e*, where *e* is in Kelvin, i.e. energy divided by + //! the molar gas constant. void addCoverageDependence(size_t k, doublereal a, doublereal m, doublereal e);