116 lines
3.1 KiB
C++
116 lines
3.1 KiB
C++
/**
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*
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* @file SurfPhase.h
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*
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*/
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/* $Author$
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* $Date$
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* $Revision$
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*
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* Copyright 2002 California Institute of Technology
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*
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*/
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#ifndef CT_SURFPHASE_H
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#define CT_SURFPHASE_H
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#include "ct_defs.h"
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#include "mix_defs.h"
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#include "ThermoPhase.h"
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#include "ctvector.h"
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#include <iostream>
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namespace Cantera {
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/**
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* A simple model for a surface phase. The surface consists of a
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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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* 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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class SurfPhase : public ThermoPhase {
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public:
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SurfPhase(doublereal n0 = 0.0);
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virtual ~SurfPhase();
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virtual int eosType() const { return cSurf; }
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virtual doublereal enthalpy_mole() const;
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virtual doublereal intEnergy_mole() const;
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virtual void getStandardChemPotentials(doublereal* mu0) const;
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virtual void getActivityConcentrations(doublereal* c) const;
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virtual doublereal standardConcentration(int k = 0) const;
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virtual doublereal logStandardConc(int k=0) const;
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virtual void setParameters(int n, doublereal* c);
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virtual void initThermo();
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doublereal siteDensity(){ return m_n0; }
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void setPotentialEnergy(int k, doublereal pe);
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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 setElectricPotential(doublereal V);
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/**
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* Pressure. Units: Pa.
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*/
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virtual doublereal pressure() const {
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return m_press;
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}
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/**
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* Set the pressure at constant temperature. Units: Pa.
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*/
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virtual void setPressure(doublereal p) {
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m_press = p;
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}
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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 setCoveragesByName(string cov);
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void getCoverages(doublereal* theta) const;
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protected:
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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_press;
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mutable doublereal m_tlast;
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mutable array_fp m_h0;
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mutable array_fp m_s0;
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mutable array_fp m_cp0;
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mutable array_fp m_mu0;
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mutable array_fp m_work;
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mutable array_fp m_pe;
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mutable array_fp m_logsize;
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private:
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void _updateThermo(bool force=false) const;
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};
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}
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#endif
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