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@ -30,6 +30,8 @@ namespace Cantera {
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* grid of equivalent sites. Surface species may be defined that
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* grid of equivalent sites. Surface species may be defined that
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* occupy one or more sites. The surface species are assumed to be
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* occupy one or more sites. The surface species are assumed to be
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* independent, and thus the species form an ideal solution.
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* independent, and thus the species form an ideal solution.
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* The definitions of the member functions are located in
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* InterfaceKinetics.cpp.
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*/
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*/
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class SurfPhase : public ThermoPhase {
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class SurfPhase : public ThermoPhase {
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@ -51,13 +53,27 @@ namespace Cantera {
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doublereal potentialEnergy(int k) {return m_pe[k];}
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doublereal potentialEnergy(int k) {return m_pe[k];}
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void setSiteDensity(doublereal n0);
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void setSiteDensity(doublereal n0);
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void setElectricPotential(doublereal V);
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void setElectricPotential(doublereal V);
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/**
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* Set the surface site fractions to a specified
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* state. This routine converts to concentrations
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* in kmol/m2, using m_n0, the surface site density,
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* and size(k), which is defined to be the number of
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* surface sites occupied by the kth molecule.
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* It then calls State::setConcentrations to set the
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* internal concentration in the object.
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*
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* @param theta[k] This is the surface site fraction
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* for the kth species in the surface phase.
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* This is a dimensionless quantity.
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*/
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void setCoverages(const doublereal* theta);
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void setCoverages(const doublereal* theta);
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void setCoveragesByName(string cov);
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void setCoveragesByName(string cov);
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void getCoverages(doublereal* theta) const;
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void getCoverages(doublereal* theta) const;
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protected:
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protected:
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doublereal m_n0, m_logn0;
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doublereal m_n0;
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doublereal m_logn0;
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doublereal m_tmin, m_tmax;
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doublereal m_tmin, m_tmax;
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mutable doublereal m_tlast;
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mutable doublereal m_tlast;
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