H2GasPvt.hpp

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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:
/*
  This file is part of the Open Porous Media project (OPM).

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  it under the terms of the GNU General Public License as published by
  the Free Software Foundation, either version 2 of the License, or
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  GNU General Public License for more details.

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  Consult the COPYING file in the top-level source directory of this
  module for the precise wording of the license and the list of
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*/
#ifndef OPM_H2_GAS_PVT_HPP
#define OPM_H2_GAS_PVT_HPP

#include <opm/material/components/SimpleHuDuanH2O.hpp>
#include <opm/material/components/BrineDynamic.hpp>
#include <opm/material/components/H2.hpp>
#include <opm/material/binarycoefficients/Brine_H2.hpp>
#include <opm/material/common/UniformTabulated2DFunction.hpp>

#include <cstddef>
#include <vector>

namespace Opm {

class EclipseState;
class Schedule;

template <class Scalar>
class H2GasPvt
{
    using H2O = SimpleHuDuanH2O<Scalar>;
    using Brine = ::Opm::BrineDynamic<Scalar, H2O>;
    using H2 = ::Opm::H2<Scalar>;
    static const bool extrapolate = true;

public:
    // The binary coefficients for brine and H2 used by this fluid system
    using BinaryCoeffBrineH2 = BinaryCoeff::Brine_H2<Scalar, H2O, H2>;

    explicit H2GasPvt() = default;

    explicit H2GasPvt(const std::vector<Scalar>& salinity,
                      Scalar T_ref = 288.71, //(273.15 + 15.56)
                      Scalar P_ref = 101325);

    void initFromState(const EclipseState& eclState, const Schedule&);

    void setNumRegions(std::size_t numRegions);

    void setVapPars(const Scalar, const Scalar)
    {
    }

    void setReferenceDensities(unsigned regionIdx,
                               Scalar rhoRefBrine,
                               Scalar rhoRefGas,
                               Scalar /*rhoRefWater*/);

    void setEnableVaporizationWater(bool yesno)
    { enableVaporization_ = yesno; }

    void initEnd()
    {
    }

    unsigned numRegions() const
    { return gasReferenceDensity_.size(); }

    Scalar hVap(unsigned ) const
    { return 0.0; }

    template <class Evaluation>
    Evaluation internalEnergy(unsigned /*regionIdx*/,
                        const Evaluation& temperature,
                        const Evaluation& pressure,
                        const Evaluation& /*rv*/,
                        const Evaluation& /*rvw*/) const
    {
        // use the gasInternalEnergy of H2
        return H2::gasInternalEnergy(temperature, pressure, extrapolate);

        // TODO: account for H2O in the gas phase
        // Init output
        //Evaluation result = 0;

        // We have to check that one of RV and RVW is zero since H2STORE works with either GAS/WATER or GAS/OIL system
        //assert(rv == 0.0 || rvw == 0.0);

        // Calculate each component contribution and return weighted sum
        //const Evaluation xBrine = convertRvwToXgW_(max(rvw, rv), regionIdx);
        //result += xBrine * H2O::gasInternalEnergy(temperature, pressure);
        //result += (1 - xBrine) * H2::gasInternalEnergy(temperature, pressure, extrapolate);
        //return result;
    }

    template <class Evaluation>
    Evaluation viscosity(unsigned regionIdx,
                         const Evaluation& temperature,
                         const Evaluation& pressure,
                         const Evaluation& /*Rv*/,
                         const Evaluation& /*Rvw*/) const
    {
        return saturatedViscosity(regionIdx, temperature, pressure);
    }

    template <class Evaluation>
    Evaluation saturatedViscosity(unsigned /*regionIdx*/,
                                  const Evaluation& temperature,
                                  const Evaluation& pressure) const
    {
        return H2::gasViscosity(temperature, pressure, extrapolate);
    }

    template <class Evaluation>
    Evaluation inverseFormationVolumeFactor(unsigned regionIdx,
                                            const Evaluation& temperature,
                                            const Evaluation& pressure,
                                            const Evaluation& rv,
                                            const Evaluation& rvw) const
    {
        // If vaporization is disabled, return H2 gas volume factor
        if (!enableVaporization_) {
            return H2::gasDensity(temperature, pressure, extrapolate) /
                   gasReferenceDensity_[regionIdx];
        }

        // Use CO2 density for the gas phase.
        const auto& rhoH2 = H2::gasDensity(temperature, pressure, extrapolate);
        //const auto& rhoH2O = H2O::gasDensity(temperature, pressure);
        //The H2STORE option both works for GAS/WATER and GAS/OIL systems
        //Either rv og rvw should be zero
        //assert(rv == 0.0 || rvw == 0.0);
        //const Evaluation xBrine = convertRvwToXgW_(max(rvw,rv),regionIdx);
        //const auto rho = 1.0/(xBrine/rhoH2O + (1.0 - xBrine)/rhoH2);
        return rhoH2 / (gasReferenceDensity_[regionIdx] +
                        max(rvw,rv) * brineReferenceDensity_[regionIdx]);
    }

    template <class FluidState, class LhsEval = typename FluidState::ValueType>
    std::pair<LhsEval, LhsEval>
    inverseFormationVolumeFactorAndViscosity(const FluidState& fluidState, unsigned regionIdx)
    {
        const LhsEval& T = decay<LhsEval>(fluidState.temperature(FluidState::gasPhaseIdx));
        const LhsEval& p = decay<LhsEval>(fluidState.pressure(FluidState::gasPhaseIdx));
        const LhsEval& Rv = decay<LhsEval>(fluidState.Rv());
        const LhsEval& Rvw = decay<LhsEval>(fluidState.Rvw());
        return { this->inverseFormationVolumeFactor(regionIdx, T, p, Rv, Rvw),
                 this->viscosity(regionIdx, T, p, Rv, Rvw) };
    }

    template <class Evaluation>
    Evaluation saturatedInverseFormationVolumeFactor(unsigned regionIdx,
                                                     const Evaluation& temperature,
                                                     const Evaluation& pressure) const
    {
        const Evaluation rvw = rvwSat_(regionIdx, temperature, pressure,
                                       Evaluation(salinity_[regionIdx]));
        return inverseFormationVolumeFactor(regionIdx, temperature, pressure,
                                            Evaluation(0.0), rvw);
    }

    template <class Evaluation>
    Evaluation saturationPressure(unsigned /*regionIdx*/,
                                  const Evaluation& /*temperature*/,
                                  const Evaluation& /*Rv*/) const
    { return 0.0; /* Not implemented! */ }

    template <class Evaluation>
    Evaluation saturatedWaterVaporizationFactor(unsigned regionIdx,
                                                const Evaluation& temperature,
                                                const Evaluation& pressure) const
    {
        return rvwSat_(regionIdx, temperature, pressure, Evaluation(salinity_[regionIdx]));
    }

    template <class Evaluation = Scalar>
    Evaluation saturatedWaterVaporizationFactor(unsigned regionIdx,
                                                const Evaluation& temperature,
                                                const Evaluation& pressure,
                                                const Evaluation& saltConcentration) const
    {
        const Evaluation salinity = salinityFromConcentration(temperature, pressure,
                                                              saltConcentration);
        return rvwSat_(regionIdx, temperature, pressure, salinity);
     }

    template <class Evaluation>
    Evaluation saturatedOilVaporizationFactor(unsigned regionIdx,
                                              const Evaluation& temperature,
                                              const Evaluation& pressure,
                                              const Evaluation& /*oilSaturation*/,
                                              const Evaluation& /*maxOilSaturation*/) const
    {
        return rvwSat_(regionIdx, temperature, pressure, Evaluation(salinity_[regionIdx]));
    }

    template <class Evaluation>
    Evaluation saturatedOilVaporizationFactor(unsigned regionIdx,
                                              const Evaluation& temperature,
                                              const Evaluation& pressure) const
    {
        return rvwSat_(regionIdx, temperature, pressure, Evaluation(salinity_[regionIdx]));
    }

    template <class Evaluation>
    Evaluation diffusionCoefficient(const Evaluation& temperature,
                                    const Evaluation& pressure,
                                    unsigned /*compIdx*/) const
    {
        return BinaryCoeffBrineH2::gasDiffCoeff(temperature, pressure);
    }

    Scalar gasReferenceDensity(unsigned regionIdx) const
    { return gasReferenceDensity_[regionIdx]; }

    Scalar oilReferenceDensity(unsigned regionIdx) const
    { return brineReferenceDensity_[regionIdx]; }

    Scalar waterReferenceDensity(unsigned regionIdx) const
    { return brineReferenceDensity_[regionIdx]; }

    Scalar salinity(unsigned regionIdx) const
    { return salinity_[regionIdx]; }

private:
    template <class LhsEval>
    LhsEval rvwSat_(unsigned regionIdx,
                    const LhsEval& temperature,
                    const LhsEval& pressure,
                    const LhsEval& salinity) const
    {
        // If water vaporization is disabled, we return zero
        if (!enableVaporization_) {
            return 0.0;
        }

        // From Li et al., Int. J. Hydrogen Energ., 2018, water mole fraction is calculated assuming ideal mixing
        LhsEval pw_sat = H2O::vaporPressure(temperature);
        LhsEval yH2O = pw_sat / pressure;

        // normalize the phase compositions
        yH2O = max(0.0, min(1.0, yH2O));
        return convertXgWToRvw(convertxgWToXgW(yH2O, salinity), regionIdx);
    }

    template <class LhsEval>
    LhsEval convertXgWToRvw(const LhsEval& XgW, unsigned regionIdx) const
    {
        Scalar rho_wRef = brineReferenceDensity_[regionIdx];
        Scalar rho_gRef = gasReferenceDensity_[regionIdx];

        return XgW / (1.0 - XgW) * (rho_gRef / rho_wRef);
    }

    template <class LhsEval>
    LhsEval convertRvwToXgW_(const LhsEval& Rvw, unsigned regionIdx) const
    {
        Scalar rho_wRef = brineReferenceDensity_[regionIdx];
        Scalar rho_gRef = gasReferenceDensity_[regionIdx];

        const LhsEval& rho_wG = Rvw * rho_wRef;
        return rho_wG / (rho_gRef + rho_wG);
    }

    template <class LhsEval>
    LhsEval convertxgWToXgW(const LhsEval& xgW, const LhsEval& salinity) const
    {
        Scalar M_H2 = H2::molarMass();
        LhsEval M_Brine = Brine::molarMass(salinity);

        return xgW * M_Brine / (xgW * (M_Brine - M_H2) + M_H2);
    }

    template <class LhsEval>
    const LhsEval salinityFromConcentration(const LhsEval&T, const LhsEval& P,
                                            const LhsEval& saltConcentration) const
    {
        return saltConcentration / H2O::liquidDensity(T, P, true);
    }

    std::vector<Scalar> gasReferenceDensity_{};
    std::vector<Scalar> brineReferenceDensity_{};
    std::vector<Scalar> salinity_{};
    bool enableVaporization_ = true;
};  // end class H2GasPvt

}  // end namspace Opm

#endif