h2.hh

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#ifndef DUMUX_H2_HH
#define DUMUX_H2_HH
 
#include <dumux/material/idealgas.hh>
 
#include <cmath>
 
#include <dumux/material/components/base.hh>
#include <dumux/material/components/gas.hh>
 
namespace Dumux {
namespace Components {

template <class Scalar>
class H2
: public Components::Base<Scalar, H2<Scalar> >
, public Components::Gas<Scalar, H2<Scalar> >
{
    using IdealGas = Dumux::IdealGas<Scalar>;
 
public:
    static std::string name()
    { return "H2"; }

    static constexpr Scalar molarMass()
    { return 2.01588e-3; }

    static Scalar criticalTemperature()
    { return 33.2; /* [K] */ }

    static Scalar criticalPressure()
    { return 13.0e5; /* [N/m^2] */ }

    static Scalar tripleTemperature()
    { return 14.0; /* [K] */ }

    static Scalar vaporPressure(Scalar temperature)
    {
        if (temperature > criticalTemperature())
            return criticalPressure();
        if (temperature < tripleTemperature())
            return 0; // H2 is solid: We don't take sublimation into
                      // account
 
        // antoine equatuion
        const Scalar A = -7.76451;
        const Scalar B = 1.45838;
        const Scalar C = -2.77580;
 
        using std::exp;
        return 1e5 * exp(A - B/(temperature + C));
    }

    static Scalar gasDensity(Scalar temperature, Scalar pressure)
    {
        // Assume an ideal gas
        return IdealGas::density(molarMass(), temperature, pressure);
    }

    static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
    { return IdealGas::molarDensity(temperature, pressure); }

    static constexpr bool gasIsCompressible()
    { return true; }

    static constexpr bool gasIsIdeal()
    { return true; }

    static Scalar gasPressure(Scalar temperature, Scalar density)
    {
        // Assume an ideal gas
        return IdealGas::pressure(temperature, density/molarMass());
    }

    static const Scalar gasEnthalpy(Scalar temperature,
                                    Scalar pressure)
    {
        return gasHeatCapacity(temperature, pressure) * temperature;
    }

    static const Scalar gasHeatCapacity(Scalar T,
                                        Scalar pressure)
    {
        // method of Joback
        const Scalar cpVapA = 27.14;
        const Scalar cpVapB = 9.273e-3;
        const Scalar cpVapC = -1.381e-5;
        const Scalar cpVapD = 7.645e-9;
 
        return
            1/molarMass()* // conversion from [J/(mol*K)] to [J/(kg*K)]
            (cpVapA + T*
              (cpVapB/2 + T*
                (cpVapC/3 + T*
                 (cpVapD/4))));
    }

    static Scalar gasViscosity(Scalar temperature, Scalar pressure)
    {
        const Scalar Tc = criticalTemperature();
        const Scalar Vc = 65.0; // critical specific volume [cm^3/mol]
        const Scalar omega = -0.216; // accentric factor
        const Scalar M = molarMass() * 1e3; // molar mas [g/mol]
        const Scalar dipole = 0.0; // dipole moment [debye]
 
        using std::sqrt;
        Scalar mu_r4 = 131.3 * dipole / sqrt(Vc * Tc);
        mu_r4 *= mu_r4;
        mu_r4 *= mu_r4;
 
        using std::pow;
        using std::exp;
        Scalar Fc = 1 - 0.2756*omega + 0.059035*mu_r4;
        Scalar Tstar = 1.2593 * temperature/Tc;
        Scalar Omega_v =
            1.16145*pow(Tstar, -0.14874) +
            0.52487*exp(- 0.77320*Tstar) +
            2.16178*exp(- 2.43787*Tstar);
        Scalar mu = 40.785*Fc*sqrt(M*temperature)/(pow(Vc, 2./3)*Omega_v);
 
        // convertion from micro poise to Pa s
        return mu/1e6 / 10;
    }
};
 
} // end namespace Components
 
} // end namespace Dumux
 
#endif