[Doc] Document interface reaction coverage dependencies
Specifically, that the activation energy term is given in temperature units.
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2 changed files with 13 additions and 4 deletions
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@ -185,14 +185,19 @@ public:
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ChebyshevRate rate;
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ChebyshevRate rate;
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};
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};
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//! Modifications to an InterfaceReaction rate based on a surface species
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//! coverage.
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struct CoverageDependency
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struct CoverageDependency
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{
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{
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//! Constructor
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//! @param a_ modification to the pre-exponential factor [m, kmol, s units]
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//! @param E_ modification to the activation energy [K]
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//! @param m_ modification to the temperature exponent
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CoverageDependency(double a_, double E_, double m_) : a(a_), E(E_), m(m_) {}
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CoverageDependency(double a_, double E_, double m_) : a(a_), E(E_), m(m_) {}
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CoverageDependency() {}
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CoverageDependency() {}
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double a;
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double a; //!< modification to the pre-exponential factor [m, kmol, s units]
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double E;
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double E; //!< modification to the activation energy [K]
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double m;
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double m; //!< modification to the temperature exponent
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};
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};
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//! A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase)
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//! A reaction occurring on an interface (i.e. a SurfPhase or an EdgePhase)
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@ -154,6 +154,10 @@ public:
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explicit SurfaceArrhenius(double A, double b, double Ta);
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explicit SurfaceArrhenius(double A, double b, double Ta);
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explicit SurfaceArrhenius(const ReactionData& rdata);
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explicit SurfaceArrhenius(const ReactionData& rdata);
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//! Add a coverage dependency for species *k*, with pre-exponential
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//! dependence *a*, temperature exponent dependence *m* and activation
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//! energy dependence *e*, where *e* is in Kelvin, i.e. energy divided by
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//! the molar gas constant.
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void addCoverageDependence(size_t k, doublereal a,
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void addCoverageDependence(size_t k, doublereal a,
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doublereal m, doublereal e);
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doublereal m, doublereal e);
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