[Doc] Document interface reaction coverage dependencies

Specifically, that the activation energy term is given in temperature
units.
This commit is contained in:
Ray Speth 2015-05-04 19:52:54 -04:00
parent be2d08f7c2
commit 4022e408af
2 changed files with 13 additions and 4 deletions

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@ -185,14 +185,19 @@ public:
ChebyshevRate rate; ChebyshevRate rate;
}; };
//! Modifications to an InterfaceReaction rate based on a surface species
//! coverage.
struct CoverageDependency 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_) : a(a_), E(E_), m(m_) {}
CoverageDependency() {} CoverageDependency() {}
double a; double a; //!< modification to the pre-exponential factor [m, kmol, s units]
double E; double E; //!< modification to the activation energy [K]
double m; double m; //!< modification to the temperature exponent
}; };
//! A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase) //! A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase)

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@ -154,6 +154,10 @@ public:
explicit SurfaceArrhenius(double A, double b, double Ta); explicit SurfaceArrhenius(double A, double b, double Ta);
explicit SurfaceArrhenius(const ReactionData& rdata); 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, void addCoverageDependence(size_t k, doublereal a,
doublereal m, doublereal e); doublereal m, doublereal e);