FluidStateCompositionModules.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).

  OPM is free software: you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published by
  the Free Software Foundation, either version 2 of the License, or
  (at your option) any later version.

  OPM is distributed in the hope that it will be useful,
  but WITHOUT ANY WARRANTY; without even the implied warranty of
  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  GNU General Public License for more details.

  You should have received a copy of the GNU General Public License
  along with OPM.  If not, see <http://www.gnu.org/licenses/>.

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

#include <opm/material/common/Valgrind.hpp>
#include <opm/material/common/MathToolbox.hpp>

#include <array>
#include <cmath>

namespace Opm {

template <class ValueType,
          class FluidSystem,
          class Implementation>
class FluidStateExplicitCompositionModule
{
    enum { numPhases = FluidSystem::numPhases };
    enum { numComponents = FluidSystem::numComponents };

public:
    FluidStateExplicitCompositionModule()
    {
        for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
            for (int compIdx = 0; compIdx < numComponents; ++compIdx)
                moleFraction_[phaseIdx][compIdx] = 0.0;
        // TODO: possilby we should begin with totalMoleFractions_ here
        // the current implementation assuming we have the moleFractions_ for each
        // individual phases first.

        Valgrind::SetDefined(moleFraction_);
        Valgrind::SetUndefined(averageMolarMass_);
        Valgrind::SetUndefined(sumMoleFractions_);
    }

    const ValueType& moleFraction(unsigned phaseIdx, unsigned compIdx) const
    { return moleFraction_[phaseIdx][compIdx]; }

    const ValueType& moleFraction(unsigned compIdx) const
    { return totalModelFractions_[compIdx]; }

    ValueType massFraction(unsigned phaseIdx, unsigned compIdx) const
    {
        return
            abs(sumMoleFractions_[phaseIdx])
            *moleFraction_[phaseIdx][compIdx]
            *FluidSystem::molarMass(compIdx)
            / max(1e-40, abs(averageMolarMass_[phaseIdx]));
    }

    const ValueType& averageMolarMass(unsigned phaseIdx) const
    { return averageMolarMass_[phaseIdx]; }

    ValueType molarity(unsigned phaseIdx, unsigned compIdx) const
    { return asImp_().molarDensity(phaseIdx)*moleFraction(phaseIdx, compIdx); }

    void setMoleFraction(unsigned phaseIdx, unsigned compIdx, const ValueType& value)
    {
        Valgrind::CheckDefined(value);
        Valgrind::SetUndefined(sumMoleFractions_[phaseIdx]);
        Valgrind::SetUndefined(averageMolarMass_[phaseIdx]);
        Valgrind::SetUndefined(moleFraction_[phaseIdx][compIdx]);

        moleFraction_[phaseIdx][compIdx] = value;

        // re-calculate the mean molar mass
        sumMoleFractions_[phaseIdx] = 0.0;
        averageMolarMass_[phaseIdx] = 0.0;
        for (unsigned compJIdx = 0; compJIdx < numComponents; ++compJIdx) {
            sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compJIdx];
            averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compJIdx]*FluidSystem::molarMass(compJIdx);
        }
    }

    void setMoleFraction(unsigned compIdx, const ValueType& value)
    {
        Valgrind::CheckDefined(value);
        totalModelFractions_[compIdx] = value;
    }

    void setCompressFactor(unsigned phaseIdx, const ValueType& value) {
        Valgrind::CheckDefined(value);
        Z_[phaseIdx] = value;
    }

    ValueType compressFactor(unsigned phaseIdx) const {
        return Z_[phaseIdx];
    }

    template <class FluidState>
    void assign(const FluidState& fs)
    {
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            averageMolarMass_[phaseIdx] = 0;
            sumMoleFractions_[phaseIdx] = 0;
            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
                moleFraction_[phaseIdx][compIdx] =
                    decay<ValueType>(fs.moleFraction(phaseIdx, compIdx));

                averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compIdx]*FluidSystem::molarMass(compIdx);
                sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compIdx];
            }
        }
    }

    void checkDefined() const
    {
        Valgrind::CheckDefined(moleFraction_);
        Valgrind::CheckDefined(averageMolarMass_);
        Valgrind::CheckDefined(sumMoleFractions_);
        Valgrind::CheckDefined(K_);
        Valgrind::CheckDefined(L_);
    }

    const ValueType& K(unsigned compIdx) const
    {
        return K_[compIdx];
    }

    void setKvalue(unsigned compIdx, const ValueType& value)
    {
        K_[compIdx] = value;
    }

    const ValueType& L() const
    {
        return L_;
    }

    void setLvalue(const ValueType& value)
    {
        L_ = value;
    }

    ValueType wilsonK_(unsigned compIdx) const
    {
        const auto& acf = FluidSystem::acentricFactor(compIdx);
        const auto& T_crit = FluidSystem::criticalTemperature(compIdx);
        const auto& T = asImp_().temperature(0);
        const auto& p_crit = FluidSystem::criticalPressure(compIdx);
        const auto& p = asImp_().pressure(0); //for now assume no capillary pressure

        const auto tmp = exp(5.37 * (1+acf) * (1-T_crit/T)) * (p_crit/p);
        return tmp;
    }

protected:
    const Implementation& asImp_() const
    {
        return *static_cast<const Implementation*>(this);
    }

    std::array<std::array<ValueType,numComponents>,numPhases> moleFraction_{};
    std::array<ValueType,numPhases> averageMolarMass_{};
    std::array<ValueType,numPhases> sumMoleFractions_{}; // per phase
    std::array<ValueType, numComponents> totalModelFractions_{}; // total mole fractions for each component
    std::array<ValueType,numPhases> Z_{};
    std::array<ValueType,numComponents> K_{};
    ValueType L_{};
};

template <class ValueType,
          class FluidSystem,
          class Implementation>
class FluidStateImmiscibleCompositionModule
{
    enum { numPhases = FluidSystem::numPhases };

public:
    enum { numComponents = FluidSystem::numComponents };
    static_assert(static_cast<int>(numPhases) == static_cast<int>(numComponents),
                  "The number of phases must be the same as the number of (pseudo-) components if you assume immiscibility");

    FluidStateImmiscibleCompositionModule() = default;

    ValueType moleFraction(unsigned phaseIdx, unsigned compIdx) const
    { return (phaseIdx == compIdx)?1.0:0.0; }

    ValueType massFraction(unsigned phaseIdx, unsigned compIdx) const
    { return (phaseIdx == compIdx)?1.0:0.0; }

    ValueType averageMolarMass(unsigned phaseIdx) const
    { return FluidSystem::molarMass(/*compIdx=*/phaseIdx); }

    ValueType molarity(unsigned phaseIdx, unsigned compIdx) const
    { return asImp_().molarDensity(phaseIdx)*moleFraction(phaseIdx, compIdx); }

    template <class FluidState>
    void assign(const FluidState& /* fs */)
    { }

    void checkDefined() const
    { }

protected:
    const Implementation& asImp_() const
    { return *static_cast<const Implementation*>(this); }
};

template <class ValueT>
class FluidStateNullCompositionModule
{
public:
    enum { numComponents = 0 };

    FluidStateNullCompositionModule() = default;

    ValueT moleFraction(unsigned /* phaseIdx */, unsigned /* compIdx */) const
    { throw std::logic_error("Mole fractions are not provided by this fluid state"); }

    ValueT massFraction(unsigned /* phaseIdx */, unsigned /* compIdx */) const
    { throw std::logic_error("Mass fractions are not provided by this fluid state"); }

    ValueT averageMolarMass(unsigned /* phaseIdx */) const
    { throw std::logic_error("Mean molar masses are not provided by this fluid state"); }

    ValueT molarity(unsigned /* phaseIdx */, unsigned /* compIdx */) const
    { throw std::logic_error("Molarities are not provided by this fluid state"); }

    void checkDefined() const
    { }
};


} // namespace Opm

#endif