co2.hh

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// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
//
// SPDX-FileCopyrightText: Copyright © DuMux Project contributors, see AUTHORS.md in root folder
// SPDX-License-Identifier: GPL-3.0-or-later
//
#ifndef DUMUX_CO2_HH
#define DUMUX_CO2_HH
 
#include <cmath>
#include <iostream>
 
#include <dune/common/stdstreams.hh>
#include <dune/common/math.hh>
 
#include <dumux/common/exceptions.hh>
 
#include <dumux/material/constants.hh>
#include <dumux/material/components/base.hh>
#include <dumux/material/components/liquid.hh>
#include <dumux/material/components/gas.hh>
 
namespace Dumux::Components {
 
template <class Scalar, class CO2Tables>
class CO2
: public Components::Base<Scalar, CO2<Scalar, CO2Tables> >
, public Components::Liquid<Scalar, CO2<Scalar, CO2Tables> >
, public Components::Gas<Scalar, CO2<Scalar, CO2Tables> >
{
    static const Scalar R;
 
    static bool warningThrown;
 
public:
    static std::string name()
    { return "CO2"; }
 
    static constexpr Scalar molarMass()
    { return 44e-3; /* [kg/mol] */ }
 
    static Scalar criticalTemperature()
    { return 273.15 + 30.95; /* [K] */ }
 
    static Scalar criticalPressure()
    { return 73.8e5; /* [Pa] */ }
 
    static Scalar tripleTemperature()
    { return 273.15 - 56.35; /* [K] */ }
 
    static Scalar triplePressure()
    { return 5.11e5; /* [N/m^2] */ }
 
    static Scalar minTabulatedPressure()
    { return CO2Tables::tabulatedEnthalpy.minPress(); /* [Pa] */ }
 
    static Scalar maxTabulatedPressure()
    { return CO2Tables::tabulatedEnthalpy.maxPress(); /* [Pa] */ }
 
    static Scalar minTabulatedTemperature()
    { return CO2Tables::tabulatedEnthalpy.minTemp(); /* [K] */ }
 
    static Scalar maxTabulatedTemperature()
    { return CO2Tables::tabulatedEnthalpy.maxTemp(); /* [K] */ }
 
    static constexpr bool gasIsIdeal()
    { return false; }
 
    static Scalar vaporPressure(Scalar T)
    {
        static const Scalar a[4] =
            { -7.0602087, 1.9391218, -1.6463597, -3.2995634 };
        static const Scalar t[4] =
            { 1.0, 1.5, 2.0, 4.0 };
 
        // this is on page 1524 of the reference
        Scalar exponent = 0;
        Scalar Tred = T/criticalTemperature();
 
        using std::pow;
        for (int i = 0; i < 4; ++i)
            exponent += a[i]*pow(1 - Tred, t[i]);
        exponent *= 1.0/Tred;
 
        using std::exp;
        return exp(exponent)*criticalPressure();
    }
 
    static Scalar gasEnthalpy(Scalar temperature,
                              Scalar pressure)
    {
        if ((temperature < criticalTemperature() || pressure < criticalPressure()) && !warningThrown)
        {
            Dune::dwarn << "Subcritical values: Be aware to use "
                        <<"Tables with sufficient resolution!"<< std::endl;
            warningThrown=true;
        }
        return
            CO2Tables::tabulatedEnthalpy.at(temperature, pressure);
    }
 
    static Scalar liquidEnthalpy(Scalar temperature,
                                 Scalar pressure)
    {
        if ((temperature < criticalTemperature() || pressure < criticalPressure()) && !warningThrown)
        {
            Dune::dwarn << "Subcritical values: Be aware to use "
                        <<"Tables with sufficient resolution!"<< std::endl;
            warningThrown=true;
        }
 
        return gasEnthalpy(temperature, pressure);
    }
 
    static Scalar gasInternalEnergy(Scalar temperature,
                                    Scalar pressure)
    {
        Scalar h = gasEnthalpy(temperature, pressure);
        Scalar rho = gasDensity(temperature, pressure);
 
        return h - (pressure / rho);
    }
 
    static Scalar liquidInternalEnergy(Scalar temperature,
                                       Scalar pressure)
    {
        Scalar h = liquidEnthalpy(temperature, pressure);
        Scalar rho = liquidDensity(temperature, pressure);
 
        return h - (pressure / rho);
    }
 
    static Scalar gasDensity(Scalar temperature, Scalar pressure)
    {
        if ((temperature < criticalTemperature() || pressure < criticalPressure()) && !warningThrown)
        {
            Dune::dwarn << "Subcritical values: Be aware to use "
                        <<"Tables with sufficient resolution!"<< std::endl;
            warningThrown=true;
        }
        return CO2Tables::tabulatedDensity.at(temperature, pressure);
    }
 
    static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
    { return gasDensity(temperature, pressure)/molarMass(); }
 
    static Scalar liquidDensity(Scalar temperature, Scalar pressure)
    {
        if ((temperature < criticalTemperature() || pressure < criticalPressure()) && !warningThrown)
        {
            Dune::dwarn << "Subcritical values: Be aware to use "
                        <<"Tables with sufficient resolution!"<< std::endl;
            warningThrown=true;
        }
        return CO2Tables::tabulatedDensity.at(temperature, pressure);
    }
 
    static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
    { return liquidDensity(temperature, pressure)/molarMass(); }
 
    static Scalar gasPressure(Scalar temperature, Scalar density)
    {
        DUNE_THROW(NumericalProblem, "CO2::gasPressure()");
    }
 
    static Scalar liquidPressure(Scalar temperature, Scalar density)
    {
        DUNE_THROW(NumericalProblem, "CO2::liquidPressure()");
    }
 
    static Scalar liquidHeatCapacity(Scalar temperature, Scalar pressure)
    {
        //temperature difference :
        Scalar dT = 1.; // 1K temperature increment
        Scalar temperature2 = temperature+dT;
 
        // enthalpy difference
        Scalar hold = liquidEnthalpy(temperature, pressure);
        Scalar hnew = liquidEnthalpy(temperature2, pressure);
        Scalar dh = hold-hnew;
 
        //specific heat capacity
        return dh/dT ;
    }
 
 
    static Scalar gasViscosity(Scalar temperature, Scalar pressure)
    {
        static const double a0 = 0.235156;
        static const double a1 = -0.491266;
        static const double a2 = 5.211155E-2;
        static const double a3 = 5.347906E-2;
        static const double a4 = -1.537102E-2;
 
        static const double d11 = 0.4071119E-2;
        static const double d21 = 0.7198037E-4;
        static const double d64 = 0.2411697E-16;
        static const double d81 = 0.2971072E-22;
        static const double d82 = -0.1627888E-22;
 
        static const double ESP = 251.196;
 
        double mu0, SigmaStar, TStar;
        double dmu, rho;
        double visco_CO2;
 
        if(temperature < 275.) // regularisation
        {
            temperature = 275;
            Dune::dgrave << "Temperature below 275K in viscosity function:"
                    << "Regularizing temperature to 275K. " << std::endl;
        }
 
 
        TStar = temperature/ESP;
 
        /* mu0: viscosity in zero-density limit */
        using std::exp;
        using std::log;
        using std::sqrt;
        SigmaStar = exp(a0 + a1*log(TStar)
                        + a2*log(TStar)*log(TStar)
                        + a3*log(TStar)*log(TStar)*log(TStar)
                        + a4*log(TStar)*log(TStar)*log(TStar)*log(TStar) );
        mu0 = 1.00697*sqrt(temperature) / SigmaStar;
 
        /* dmu : excess viscosity at elevated density */
        rho = gasDensity(temperature, pressure); /* CO2 mass density [kg/m^3] */
 
        using Dune::power;
        dmu = d11*rho + d21*rho*rho + d64*power(rho,6)/(TStar*TStar*TStar)
            + d81*power(rho,8) + d82*power(rho,8)/TStar;
 
        visco_CO2 = (mu0 + dmu)/1.0E6;   /* conversion to [Pa s] */
 
        return visco_CO2;
    }
 
    static Scalar liquidViscosity(Scalar temperature, Scalar pressure)
    {
        // no difference for supercritical CO2
        return gasViscosity(temperature, pressure);
    }
 
    static Scalar gasThermalConductivity(Scalar temperature, Scalar pressure)
    {
        return 0.087;
    }
};
 
template <class Scalar, class CO2Tables>
const Scalar CO2<Scalar, CO2Tables>::R = Constants<Scalar>::R;
 
template <class Scalar, class CO2Tables>
bool CO2<Scalar, CO2Tables>::warningThrown = false;
 
} // end namespace Dumux::Components
 
#endif