Sub.h

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//! @file Sub.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 TPX_SUB_H
#define TPX_SUB_H
 
#include "cantera/base/ctexceptions.h"
 
namespace tpx
{
 
namespace PropertyPair
{
enum type {
    TV = 12, HP = 34, SP = 54, PV = 42, TP = 14, UV = 62, ST = 51,
    SV = 52, UP = 64, VH = 23, TH = 13, SH = 53, PX = 47, TX = 17,
    VT = -12, PH = -34, PS = -54, VP = -42, PT = -14, VU = -62, TS = -51,
    VS = -52, PU = -64, HV = -23, HT = -13, HS = -53, XP = -47, XT = -17
};
}
 
const int Pgiven = 0, Tgiven = 1;
 
namespace propertyFlag
{
enum type { H, S, U, V, P, T };
}
 
const double Undef = 999.1234;
 
/**
 * Base class from which all pure substances are derived
 */
class Substance
{
public:
    Substance() = default;
 
    virtual ~Substance() = default;
 
    void setStdState(double h0 = 0.0, double s0 = 0.0,
                     double t0 = 298.15, double p0 = 1.01325e5);
 
    //! @name Information about a substance
    //! @{
 
    //! Molecular weight [kg/kmol]
    virtual double MolWt()=0;
 
    //! Critical temperature [K]
    virtual double Tcrit()=0;
 
    //! Critical pressure [Pa]
    virtual double Pcrit()=0;
 
    //! Critical specific volume [m^3/kg]
    virtual double Vcrit()=0;
 
    //! Minimum temperature for which the equation of state is valid
    virtual double Tmin()=0;
 
    //! Maximum temperature for which the equation of state is valid
    virtual double Tmax()=0;
 
    //! Name of the substance
    const char* name() {
        return m_name.c_str();
    }
 
    //! Chemical formula for the substance
     const char* formula() {
        return m_formula.c_str();
    }
 
    //! @}
 
    //! @name Properties
    //! @{
 
    //! Pressure [Pa]. If two phases are present, return the saturation
    //! pressure; otherwise return the pressure computed directly from the
    //! underlying eos.
    double P();
 
    //! Temperature [K]
    double Temp() {
        return T;
    }
 
    //! Specific volume [m^3/kg]
    double v() {
        return prop(propertyFlag::V);
    }
 
    //! Internal energy [J/kg]
    double u() {
        return prop(propertyFlag::U);
    }
 
    //! Enthalpy [J/kg]
    double h() {
        return prop(propertyFlag::H);
    }
 
    //! Entropy [J/kg/K]
    double s() {
        return prop(propertyFlag::S);
    }
 
    //! Helmholtz function [J/kg]
    double f() {
        return u() - T*s();
    }
 
    //! Gibbs function [J/kg]
    double g() {
        return h() - T*s();
    }
 
    //! Specific heat at constant volume [J/kg/K]
    virtual double cv();
 
    //! Specific heat at constant pressure [J/kg/K]
    virtual double cp();
 
    virtual double thermalExpansionCoeff();
 
    virtual double isothermalCompressibility();
 
    //! @}
    //! @name Saturation Properties
    //! @{
 
    double Ps();
 
    //! The derivative of the saturation pressure with respect to temperature.
    virtual double dPsdT();
 
    //! Saturation temperature at pressure *p*.
    double Tsat(double p);
 
    //! Vapor mass fraction. If T >= Tcrit, 0 is returned for v < Vcrit, and 1
    //! is returned if v > Vcrit.
    double x();
 
    //! Returns 1 if the current state is a liquid/vapor mixture, 0 otherwise.
    //! By default, saturated vapor and saturated liquid are included; setting
    //! the flag *strict* to true will exclude the boundaries.
    int TwoPhase(bool strict=false);
    //! @}
 
    virtual double Pp()=0;
 
    //! Enthalpy of a single-phase state
    double hp() {
        return up() + Pp()/Rho;
    }
 
    //! Gibbs function of a single-phase state
    double gp() {
        return hp() - T*sp();
    }
 
    double prop(propertyFlag::type ijob);
 
    //! set T and P
    void set_TPp(double t0, double p0);
 
    //! Function to set or change the state for a property pair *XY* where
    //! *x0* is the value of first property and *y0* is the value of the
    //! second property.
    void Set(PropertyPair::type XY, double x0, double y0);
 
protected:
    double T = Undef;
    double Rho = Undef;
    double Tslast = Undef;
    double Rhf = Undef;
    double Rhv = Undef;
    double Pst = Undef;
    double m_energy_offset = 0.0;
    double m_entropy_offset = 0.0;
    std::string m_name;
    std::string m_formula;
 
    virtual double ldens()=0;
 
    //! Saturation pressure, Pa
    virtual double Psat()=0;
 
    //! Internal energy of a single-phase state
    virtual double up()=0;
 
    //! Entropy of a single-phase state
    virtual double sp()=0;
 
    virtual int ideal() {
        return 0;
    }
 
    double vp() {
        return 1.0/Rho;
    }
 
    //! Uses the lever rule to set state in the dome. Returns 1 if in dome,
    //! 0 if not, in which case state not set.
    int Lever(int itp, double sat, double val, propertyFlag::type ifunc);
 
    //! Update saturated liquid and vapor densities and saturation pressure
    void update_sat();
 
private:
    void set_Rho(double r0);
    void set_T(double t0);
    void set_v(double v0);
    void BracketSlope(double p);
    double vprop(propertyFlag::type ijob);
    void set_xy(propertyFlag::type if1, propertyFlag::type if2,
                double X, double Y,
                double atx, double aty, double rtx, double rty);
 
    int kbr = 0;
    double Vmin, Vmax;
    double Pmin, Pmax;
    double dvbf, dv;
    double v_here, P_here;
};
 
}
 
#endif