simpleco2.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-FileCopyrightInfo: Copyright © DuMux Project contributors, see AUTHORS.md in root folder
// SPDX-License-Identifier: GPL-3.0-or-later
//
#ifndef DUMUX_SIMPLE_CO2_HH
#define DUMUX_SIMPLE_CO2_HH
 
#include <dune/common/stdstreams.hh>
 
#include <dumux/common/parameters.hh>
#include <dumux/material/idealgas.hh>
 
#include <cmath>
 
#include <dumux/material/components/base.hh>
#include <dumux/material/components/gas.hh>
#include <dumux/material/components/shomate.hh>
 
namespace Dumux::Components {
 
template <class Scalar>
class SimpleCO2
: public Components::Base<Scalar, SimpleCO2<Scalar> >
, public Components::Gas<Scalar, SimpleCO2<Scalar> >
{
    using IdealGas = Dumux::IdealGas<Scalar>;
    using ShomateMethod = Dumux::ShomateMethod<Scalar, 2>; // two regions
 
public:
     static const ShomateMethod shomateMethod;
 
    static std::string name()
    { return "SimpleCO2"; }
 
    static constexpr Scalar molarMass()
    { return 44.0e-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 const Scalar gasEnthalpy(Scalar temperature,
                                    Scalar pressure)
    {
        const auto h = shomateMethod.enthalpy(temperature); // KJ/mol
        return h * 1e3 / molarMass(); // J/kg
    }
 
    static const Scalar gasInternalEnergy(Scalar temperature,
                                          Scalar pressure)
    {
        // 1/molarMass: conversion from [J/(mol K)] to [J/(kg K)]
        // R*T/molarMass: pressure *spec. volume for an ideal gas
        return gasEnthalpy(temperature, pressure)
                - 1.0/molarMass()*IdealGas::R*temperature;
    }
 
    static constexpr bool gasIsCompressible()
    { return true; }
 
    static constexpr bool gasViscosityIsConstant()
    { return false; }
 
    static Scalar gasDensity(Scalar temperature, Scalar pressure)
    { return IdealGas::density(molarMass(), temperature, pressure); }
 
    static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
    { return IdealGas::molarDensity(temperature, pressure); }
 
    static constexpr bool gasIsIdeal()
    { return true; }
 
    static Scalar gasPressure(Scalar temperature, Scalar density)
    { return IdealGas::pressure(temperature, density/molarMass()); }
 
    static Scalar gasViscosity(Scalar temperature, Scalar pressure)
    {
        constexpr double a0 = 0.235156;
        constexpr double a1 = -0.491266;
        constexpr double a2 = 5.211155E-2;
        constexpr double a3 = 5.347906E-2;
        constexpr double a4 = -1.537102E-2;
 
        constexpr double d11 = 0.4071119E-2;
        constexpr double d21 = 0.7198037E-4;
        constexpr double d64 = 0.2411697E-16;
        constexpr double d81 = 0.2971072E-22;
        constexpr double d82 = -0.1627888E-22;
 
        constexpr double ESP = 251.196;
 
        if(temperature < 275.0) // regularisation
        {
            temperature = 275.0;
            Dune::dgrave << "Temperature below 275K in viscosity function:"
                    << "Regularizing temperature to 275K. " << std::endl;
        }
 
 
        const double TStar = temperature/ESP;
 
        /* mu0: viscosity in zero-density limit */
        using std::exp;
        using std::log;
        using std::sqrt;
        const double logTStar = log(TStar);
        const double SigmaStar = exp(a0 + a1*logTStar
                        + a2*logTStar*logTStar
                        + a3*logTStar*logTStar*logTStar
                        + a4*logTStar*logTStar*logTStar*logTStar );
        const double mu0 = 1.00697*sqrt(temperature) / SigmaStar;
 
        /* dmu : excess viscosity at elevated density */
        const double rho = gasDensity(temperature, pressure); /* CO2 mass density [kg/m^3] */
 
        using Dune::power;
        const double dmu = d11*rho + d21*rho*rho + d64*power(rho, 6)/(TStar*TStar*TStar)
            + d81*power(rho, 8) + d82*power(rho, 8)/TStar;
 
        return (mu0 + dmu)/1.0E6;   /* conversion to [Pa s] */
    }
 
 
    static Scalar gasThermalConductivity(Scalar temperature, Scalar pressure)
    {
        return 0.087;
    }
 
    static Scalar gasHeatCapacity(Scalar temperature, Scalar pressure)
    {
        const auto cp = shomateMethod.heatCapacity(temperature); // J/(mol K)
        return cp / molarMass(); // J/(kg K)
    }
 
};
 
template <class Scalar>
const typename SimpleCO2<Scalar>::ShomateMethod SimpleCO2<Scalar>::shomateMethod{
    /*temperature*/{298.0, 1200.0, 6000.0},
    typename SimpleCO2<Scalar>::ShomateMethod::Coefficients{{
        {24.99735, 55.18696, -33.69137, 7.948387, -0.136638, -403.6075, 228.2431, -393.5224},
        {58.16639, 2.720074, -0.492289, 0.038844, -6.447293, -425.9186, 263.6125, -393.5224}
    }}
};
 
 
} // end namespace Dumux::Components
 
#endif