mix_defs.h

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//! @file mix_defs.h
#ifndef CT_MIX_DEFS_H
#define CT_MIX_DEFS_H

namespace Cantera
{

/**
 *  This generic id is used as the default in virtual base
 *  classes that employ id's. It is used to indicate the lack
 *  of an inherited class that would define the id.
 */
const int cNone = 0;

// species thermo types
const int cNASA = 1;
const int cShomate = 2;
const int cNASA96 = 3;
const int cHarmonicOsc = 4;

/**
 * Equation of state types:
 *
 *  These types are used in the member function eosType() of
 *  the virtual base class ThermoPhase. They are used to
 *  distinguish different types of equation of states. Also, they
 *  may be used for upcasting from the ThermoPhase class.  Their
 *  id's should be distinct.
 *
 *  Users who wish to define their own equation of states which
 *  derive from ThermoPhase should define a unique id which
 *  doesn't conflict with those listed below. The Cantera Kernel
 *  however, will not be know about the class and will therefore
 *  not be able to initialize the class within its "factory"
 *  routines.
 */
const int cIdealGas = 1;       //  IdealGasPhase in IdealGasPhase.h
const int cIncompressible = 2; //  ConstDensityThermo in ConstDensityThermo.h
/// A surface phase. Used by class SurfPhase.
const int cSurf = 3;

/// A metal phase.
const int cMetal = 4;          //  MetalPhase in MetalPhase.h
//    const int cSolidCompound = 5;  //  SolidCompound in SolidCompound.h
const int cStoichSubstance = 5; // StoichSubstance.h
const int cSemiconductor = 7;

const int cMineralEQ3 = 8; // MineralEQ3 in MineralEQ3.h
const int cMetalSHEelectrons = 9; // SHE electrode electrons

const int cLatticeSolid = 20; // LatticeSolidPhase.h
const int cLattice = 21; //LatticePhase.h

// pure fluids with liquid/vapor eqs of state
const int cPureFluid = 10;

/// An edge between two 2D surfaces
const int cEdge = 6;

//! Stoichiometric compound with a constant chemical potential
const int cFixedChemPot = 70;

/// Constant partial molar volume solution IdealSolidSolnPhase.h
const int cIdealSolidSolnPhase = 5009;

const int cMaskellSolidSolnPhase = 5010;

//! HMW - Strong electrolyte using the Pitzer formulation
const int cHMW = 40;

//! DebyeHuckel - Weak electrolyte using various Debye-Huckel formulations
const int cDebyeHuckel = 50;

//! IdealMolalSoln - molality based solution with molality-based act coeffs of 1
const int cIdealMolalSoln = 60;

const int cIdealSolnGasVPSS = 500;
const int cIdealSolnGasVPSS_iscv = 501;

//! Fugacity Models
const int cMixtureFugacityTP = 700;
const int cRedlichKwongMFTP = 701;

const int cMargulesVPSSTP = 301;

const int cRedlichKisterVPSSTP = 303;

const int cMolarityIonicVPSSTP = 401;
const int cMixedSolventElectrolyte = 402;

const int cPhaseCombo_Interaction = 305;

const int cIonsFromNeutral = 2000;

//! Variable Pressure Standard State ThermoPhase objects
const int cVPSS_IdealGas     = 1001;
const int cVPSS_ConstVol     = 1002;
const int cVPSS_PureFluid    = 1010;
const int cVPSS_HMW          = 1040;
const int cVPSS_DebyeHuckel = 1050;
const int cVPSS_MolalSoln   = 1060;

//! Types of general formulations for the specification of the standard state volume
enum SSVolume_Model_enumType {
    //! This approximation is for a constant volume
    cSSVOLUME_CONSTANT = 0,
    //! This approximation is for a species with a quadratic polynomial in temperature
    /*!
     *       V^ss_i = ai + bi T + ci T2
     */
    cSSVOLUME_TPOLY,
    //! This approximation is for a species where the density is expressed as a
    //! quadratic polynomial in temperature
    /*!
     *       V^ss_i = M_i / (ai + bi T + ci T2)
     */
    cSSVOLUME_DENSITY_TPOLY
};

//! Types of PDSS's
enum PDSS_enumType {
    cPDSS_UNDEF = 100,
    cPDSS_IDEALGAS,
    cPDSS_CONSTVOL,
    cPDSS_SSVOL,
    cPDSS_MOLAL_CONSTVOL,
    cPDSS_WATER,
    cPDSS_MOLAL_HKFT,
    cPDSS_IONSFROMNEUTRAL
};


//! enum for VPSSMgr types that are responsible for calculating the species
//! standard state and reference-state thermodynamic properties.
enum VPSSMgr_enumType {
    cVPSSMGR_UNDEF = 1000,
    //! Variable pressures SS calculator for ideal gas phases
    cVPSSMGR_IDEALGAS,
    //! Variable pressure SS calculate for phases consisting all species having
    //! a constant molar volume property. This fits most solids.
    cVPSSMGR_CONSTVOL,
    cVPSSMGR_PUREFLUID,
    //! Variable pressure SS calculate for phases consisting of real water
    //! as the first species and species having a constant molar volume property
    cVPSSMGR_WATER_CONSTVOL,
    //! Variable pressure SS calculate for phases consisting of real water
    //! as the first species and species obeying the HKFT standard state
    cVPSSMGR_WATER_HKFT,
    //! Variable pressure SS calculate for phases consisting of completing
    //! general representations
    cVPSSMGR_GENERAL
};


// kinetic manager types
const int cGasKinetics = 2;
const int cInterfaceKinetics = 4;
const int cLineKinetics = 5;
const int cEdgeKinetics = 6;
const int cSolidKinetics = 7;
const int cAqueousKinetics = 8;
}

#endif