diffusionmodule.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:
/*
  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_DIFFUSION_MODULE_HH
#define OPM_DIFFUSION_MODULE_HH
 
#include <dune/common/fvector.hh>
 
#include <opm/material/common/Valgrind.hpp>
 
#include <opm/models/common/multiphasebaseproperties.hh>
#include <opm/models/common/quantitycallbacks.hh>
#include <opm/models/discretization/common/fvbaseproperties.hh>
 
#include <array>
#include <stdexcept>
 
namespace Opm {
 
template <class TypeTag, bool enableDiffusion>
class DiffusionModule;
 
template <class TypeTag>
class DiffusionModule<TypeTag, /*enableDiffusion=*/false>
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using RateVector = GetPropType<TypeTag, Properties::RateVector>;
 
public:
    static void registerParameters()
    {}
 
    template <class Context>
    static void addDiffusiveFlux(RateVector&,
                                 const Context&,
                                 unsigned,
                                 unsigned)
    {}
};
 
template <class TypeTag>
class DiffusionModule<TypeTag, /*enableDiffusion=*/true>
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Evaluation = GetPropType<TypeTag, Properties::Evaluation>;
    using RateVector = GetPropType<TypeTag, Properties::RateVector>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using Indices = GetPropType<TypeTag, Properties::Indices>;
 
    enum { numPhases = FluidSystem::numPhases };
    enum { numComponents = FluidSystem::numComponents };
    enum { conti0EqIdx = Indices::conti0EqIdx };
 
    using Toolbox = Opm::MathToolbox<Evaluation>;
 
public:
    static void registerParameters()
    {}
 
    template <class Context>
    static void addDiffusiveFlux(RateVector& flux, const Context& context,
                                 unsigned spaceIdx, unsigned timeIdx)
    {
        const auto& extQuants = context.extensiveQuantities(spaceIdx, timeIdx);
 
        const auto& fluidStateI = context.intensiveQuantities(extQuants.interiorIndex(), timeIdx).fluidState();
        const auto& fluidStateJ = context.intensiveQuantities(extQuants.exteriorIndex(), timeIdx).fluidState();
 
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            // arithmetic mean of the phase's molar density
            Evaluation rhoMolar = fluidStateI.molarDensity(phaseIdx);
            rhoMolar += Toolbox::value(fluidStateJ.molarDensity(phaseIdx));
            rhoMolar /= 2;
 
            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
                // mass flux due to molecular diffusion
                flux[conti0EqIdx + compIdx] +=
                    -rhoMolar
                    * extQuants.moleFractionGradientNormal(phaseIdx, compIdx)
                    * extQuants.effectiveDiffusionCoefficient(phaseIdx, compIdx);
            }
        }
    }
};
 
template <class TypeTag, bool enableDiffusion>
class DiffusionIntensiveQuantities;
 
template <class TypeTag>
class DiffusionIntensiveQuantities<TypeTag, /*enableDiffusion=*/false>
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using ElementContext = GetPropType<TypeTag, Properties::ElementContext>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
 
public:
    Scalar tortuosity(unsigned) const
    {
        throw std::logic_error("Method tortuosity() does not make sense "
                               "if diffusion is disabled");
    }
 
    Scalar diffusionCoefficient(unsigned, unsigned) const
    {
        throw std::logic_error("Method diffusionCoefficient() does not "
                               "make sense if diffusion is disabled");
    }
 
    Scalar effectiveDiffusionCoefficient(unsigned, unsigned) const
    {
        throw std::logic_error("Method effectiveDiffusionCoefficient() "
                               "does not make sense if diffusion is disabled");
    }
 
protected:
    template <class FluidState>
    void update_(FluidState&,
                 typename FluidSystem::template ParameterCache<typename FluidState::Scalar>&,
                 const ElementContext&,
                 unsigned,
                 unsigned)
    { }
};
 
template <class TypeTag>
class DiffusionIntensiveQuantities<TypeTag, /*enableDiffusion=*/true>
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Evaluation = GetPropType<TypeTag, Properties::Evaluation>;
    using ElementContext = GetPropType<TypeTag, Properties::ElementContext>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
 
    enum { numPhases = FluidSystem::numPhases };
    enum { numComponents = FluidSystem::numComponents };
 
public:
    Evaluation diffusionCoefficient(unsigned phaseIdx, unsigned compIdx) const
    { return diffusionCoefficient_[phaseIdx][compIdx]; }
 
    Evaluation tortuosity(unsigned phaseIdx) const
    { return tortuosity_[phaseIdx]; }
 
    Evaluation effectiveDiffusionCoefficient(unsigned phaseIdx, unsigned compIdx) const
    { return tortuosity_[phaseIdx] * diffusionCoefficient_[phaseIdx][compIdx]; }
 
protected:
    template <class FluidState>
    void update_(FluidState& fluidState,
                 typename FluidSystem::template ParameterCache<typename FluidState::Scalar>& paramCache,
                 const ElementContext& elemCtx,
                 unsigned dofIdx,
                 unsigned timeIdx)
    {
        using Toolbox = Opm::MathToolbox<Evaluation>;
 
        const auto& intQuants = elemCtx.intensiveQuantities(dofIdx, timeIdx);
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            if (!elemCtx.model().phaseIsConsidered(phaseIdx)) {
                continue;
            }
 
            // TODO: let the problem do this (this is a constitutive
            // relation of which the model should be free of from the
            // abstraction POV!)
            // Based on Millington, R. J., & Quirk, J. P. (1961).
            const Evaluation& base =
                Toolbox::max(0.0001,
                             intQuants.porosity()
                             * intQuants.fluidState().saturation(phaseIdx));
            tortuosity_[phaseIdx] =
                1.0 / (intQuants.porosity() * intQuants.porosity())
                * Toolbox::pow(base, 10.0/3.0);
 
            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
                diffusionCoefficient_[phaseIdx][compIdx] =
                    FluidSystem::diffusionCoefficient(fluidState,
                                                      paramCache,
                                                      phaseIdx,
                                                      compIdx);
            }
        }
    }
 
private:
    std::array<Evaluation, numPhases> tortuosity_;
    std::array<std::array<Evaluation, numComponents>, numPhases> diffusionCoefficient_;
};
 
template <class TypeTag, bool enableDiffusion>
class DiffusionExtensiveQuantities;
 
template <class TypeTag>
class DiffusionExtensiveQuantities<TypeTag, /*enableDiffusion=*/false>
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Evaluation = GetPropType<TypeTag, Properties::Evaluation>;
    using ElementContext = GetPropType<TypeTag, Properties::ElementContext>;
 
protected:
    void update_(const ElementContext&,
                 unsigned,
                 unsigned)
    {}
 
    template <class Context, class FluidState>
    void updateBoundary_(const Context&,
                         unsigned,
                         unsigned,
                         const FluidState&)
    {}
 
public:
    const Evaluation& moleFractionGradientNormal(unsigned,
                                                 unsigned) const
    {
        throw std::logic_error("The method moleFractionGradient() does not "
                               "make sense if diffusion is disabled.");
    }
 
    const Evaluation& effectiveDiffusionCoefficient(unsigned,
                                                    unsigned) const
    {
        throw std::logic_error("The method effectiveDiffusionCoefficient() "
                               "does not make sense if diffusion is disabled.");
    }
};
 
template <class TypeTag>
class DiffusionExtensiveQuantities<TypeTag, /*enableDiffusion=*/true>
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Evaluation = GetPropType<TypeTag, Properties::Evaluation>;
    using ElementContext = GetPropType<TypeTag, Properties::ElementContext>;
    using GridView = GetPropType<TypeTag, Properties::GridView>;
 
    enum { dimWorld = GridView::dimensionworld };
    enum { numPhases = getPropValue<TypeTag, Properties::NumPhases>() };
    enum { numComponents = getPropValue<TypeTag, Properties::NumComponents>() };
 
    using DimVector = Dune::FieldVector<Scalar, dimWorld>;
    using DimEvalVector = Dune::FieldVector<Evaluation, dimWorld>;
 
protected:
    void update_(const ElementContext& elemCtx, unsigned faceIdx, unsigned timeIdx)
    {
        const auto& gradCalc = elemCtx.gradientCalculator();
        Opm::MoleFractionCallback<TypeTag> moleFractionCallback(elemCtx);
 
        const auto& face = elemCtx.stencil(timeIdx).interiorFace(faceIdx);
        const auto& normal = face.normal();
        const auto& extQuants = elemCtx.extensiveQuantities(faceIdx, timeIdx);
 
        const auto& intQuantsInside = elemCtx.intensiveQuantities(extQuants.interiorIndex(), timeIdx);
        const auto& intQuantsOutside = elemCtx.intensiveQuantities(extQuants.exteriorIndex(), timeIdx);
 
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            if (!elemCtx.model().phaseIsConsidered(phaseIdx)) {
                continue;
            }
 
            moleFractionCallback.setPhaseIndex(phaseIdx);
            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
                moleFractionCallback.setComponentIndex(compIdx);
 
                DimEvalVector moleFractionGradient(0.0);
                gradCalc.calculateGradient(moleFractionGradient,
                                           elemCtx,
                                           faceIdx,
                                           moleFractionCallback);
 
                moleFractionGradientNormal_[phaseIdx][compIdx] = 0.0;
                for (unsigned i = 0; i < normal.size(); ++i) {
                    moleFractionGradientNormal_[phaseIdx][compIdx] +=
                        normal[i]*moleFractionGradient[i];
                }
                Opm::Valgrind::CheckDefined(moleFractionGradientNormal_[phaseIdx][compIdx]);
 
                // use the arithmetic average for the effective
                // diffusion coefficients.
                effectiveDiffusionCoefficient_[phaseIdx][compIdx] =
                    (intQuantsInside.effectiveDiffusionCoefficient(phaseIdx, compIdx)
                     +
                     intQuantsOutside.effectiveDiffusionCoefficient(phaseIdx, compIdx))
                    / 2;
 
                Opm::Valgrind::CheckDefined(effectiveDiffusionCoefficient_[phaseIdx][compIdx]);
            }
        }
    }
 
    template <class Context, class FluidState>
    void updateBoundary_(const Context& context,
                         unsigned bfIdx,
                         unsigned timeIdx,
                         const FluidState& fluidState)
    {
        const auto& stencil = context.stencil(timeIdx);
        const auto& face = stencil.boundaryFace(bfIdx);
 
        const auto& elemCtx = context.elementContext();
        const unsigned insideScvIdx = face.interiorIndex();
        const auto& insideScv = stencil.subControlVolume(insideScvIdx);
 
        const auto& intQuantsInside = elemCtx.intensiveQuantities(insideScvIdx, timeIdx);
        const auto& fluidStateInside = intQuantsInside.fluidState();
 
        // distance between the center of the SCV and center of the boundary face
        DimVector distVec = face.integrationPos();
        distVec -= context.element().geometry().global(insideScv.localGeometry().center());
 
        const Scalar dist = distVec * face.normal();
 
        // if the following assertation triggers, the center of the
        // center of the interior SCV was not inside the element!
        assert(dist > 0);
 
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            if (!elemCtx.model().phaseIsConsidered(phaseIdx)) {
                continue;
            }
 
            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
                // calculate mole fraction gradient using two-point
                // gradients
                moleFractionGradientNormal_[phaseIdx][compIdx] =
                    (fluidState.moleFraction(phaseIdx, compIdx)
                     -
                     fluidStateInside.moleFraction(phaseIdx, compIdx))
                    / dist;
                Opm::Valgrind::CheckDefined(moleFractionGradientNormal_[phaseIdx][compIdx]);
 
                // use effective diffusion coefficients of the interior finite
                // volume.
                effectiveDiffusionCoefficient_[phaseIdx][compIdx] =
                    intQuantsInside.effectiveDiffusionCoefficient(phaseIdx, compIdx);
 
                Opm::Valgrind::CheckDefined(effectiveDiffusionCoefficient_[phaseIdx][compIdx]);
            }
        }
    }
 
public:
    const Evaluation& moleFractionGradientNormal(unsigned phaseIdx, unsigned compIdx) const
    { return moleFractionGradientNormal_[phaseIdx][compIdx]; }
 
    const Evaluation& effectiveDiffusionCoefficient(unsigned phaseIdx, unsigned compIdx) const
    { return effectiveDiffusionCoefficient_[phaseIdx][compIdx]; }
 
private:
    std::array<std::array<Evaluation, numComponents>, numPhases> moleFractionGradientNormal_;
    std::array<std::array<Evaluation, numComponents>, numPhases> effectiveDiffusionCoefficient_;
};
 
} // namespace Opm
 
#endif