vcs_species_thermo.h

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//! @file vcs_species_thermo.h
 
// This file is part of Cantera. See License.txt in the top-level directory or
// at https://cantera.org/license.txt for license and copyright information.
 
#ifndef VCS_SPECIES_THERMO_H
#define VCS_SPECIES_THERMO_H
 
#include "cantera/equil/vcs_defs.h"
 
namespace Cantera
{
 
class vcs_VolPhase;
 
// Models for the species standard state Naught temperature dependence
#define VCS_SS0_NOTHANDLED -1
#define VCS_SS0_CONSTANT 0
//#define VCS_SS0_NASA_POLY 1
#define VCS_SS0_CONSTANT_CP 2
 
// Models for the species standard state extra pressure dependence
#define VCS_SSSTAR_NOTHANDLED -1
#define VCS_SSSTAR_CONSTANT 0
#define VCS_SSSTAR_IDEAL_GAS 1
 
/*!
 * Identifies the thermo model for the species. This structure is shared by
 * volumetric and surface species. However, each will have its own types of
 * thermodynamic models. These quantities all have appropriate units.
 */
class VCS_SPECIES_THERMO
{
    /*
     * All objects are public for ease of development
     */
public:
    //! Index of the phase that this species belongs to.
    size_t IndexPhase;
 
    //! Index of this species in the current phase.
    size_t IndexSpeciesPhase;
 
    //! Pointer to the owning phase object.
    vcs_VolPhase* OwningPhase;
 
    //! Integer representing the models for the species standard state Naught
    //! temperature dependence. They are listed above and start with VCS_SS0_...
    int SS0_Model;
 
    //! Internal storage of the last calculation of the reference naught Gibbs
    //! free energy at SS0_TSave. (always in units of Kelvin)
    double SS0_feSave;
 
    //! Internal storage of the last temperature used in the calculation of the
    //! reference naught Gibbs free energy. units = kelvin
    double SS0_TSave;
 
    //! Base temperature used in the VCS_SS0_CONSTANT_CP model
    double SS0_T0;
 
    //! Base enthalpy used in the VCS_SS0_CONSTANT_CP model
    double SS0_H0;
 
    //! Base entropy used in the VCS_SS0_CONSTANT_CP model
    double SS0_S0;
 
    //! Base heat capacity used in the VCS_SS0_CONSTANT_CP model
    double SS0_Cp0;
 
    //! Value of the pressure for the reference state.
    //! defaults to 1.01325E5 = 1 atm
    double SS0_Pref;
 
    //! Integer value representing the star state model.
    int SSStar_Model;
 
    //! Models for the standard state volume of each species
    int SSStar_Vol_Model;
 
    //! parameter that is used in the VCS_SSVOL_CONSTANT model.
    double SSStar_Vol0;
 
    VCS_SPECIES_THERMO()
         : IndexPhase(0)
         , IndexSpeciesPhase(0)
         , OwningPhase(0)
         , SS0_Model(VCS_SS0_CONSTANT)
         , SS0_feSave(0.0)
         , SS0_TSave(-90.0)
         , SS0_T0(273.15)
         , SS0_H0(0.0)
         , SS0_S0(0.0)
         , SS0_Cp0(0.0)
         , SS0_Pref(1.01325E5)
         , SSStar_Model(VCS_SSSTAR_CONSTANT)
         , SSStar_Vol_Model(VCS_SSVOL_IDEALGAS)
         , SSStar_Vol0(-1.0)
    {
    }
};
 
}
 
#endif