opm-simulators/opm/models/flash/flashmodel.hh

// -*- 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.
*/
/*!
 * \file
 *
 * \copydoc Opm::FlashModel
 */
#ifndef EWOMS_FLASH_MODEL_HH
#define EWOMS_FLASH_MODEL_HH

#include <opm/material/densead/Math.hpp>

#include "flashproperties.hh"
#include "flashprimaryvariables.hh"
#include "flashlocalresidual.hh"
#include "flashratevector.hh"
#include "flashboundaryratevector.hh"
#include "flashintensivequantities.hh"
#include "flashextensivequantities.hh"
#include "flashindices.hh"

#include <opm/models/common/multiphasebasemodel.hh>
#include <opm/models/common/energymodule.hh>
#include <opm/models/io/vtkcompositionmodule.hh>
#include <opm/models/io/vtkenergymodule.hh>
#include <opm/models/io/vtkdiffusionmodule.hh>
#include <opm/material/fluidmatrixinteractions/NullMaterial.hpp>
#include <opm/material/fluidmatrixinteractions/MaterialTraits.hpp>
#include <opm/material/constraintsolvers/NcpFlash.hpp>

#include <sstream>
#include <string>

namespace Opm {
template <class TypeTag>
class FlashModel;
}

namespace Opm::Properties {

namespace TTag {
//! The type tag for the isothermal single phase problems
struct FlashModel { using InheritsFrom = std::tuple<VtkDiffusion,
                                                    VtkEnergy,
                                                    VtkComposition,
                                                    MultiPhaseBaseModel>; };
} // namespace TTag

//! Use the FlashLocalResidual function for the flash model
template<class TypeTag>
struct LocalResidual<TypeTag, TTag::FlashModel> { using type = Opm::FlashLocalResidual<TypeTag>; };

//! Use the NCP flash solver by default
template<class TypeTag>
struct FlashSolver<TypeTag, TTag::FlashModel>
{ using type = Opm::NcpFlash<GetPropType<TypeTag, Properties::Scalar>,
                             GetPropType<TypeTag, Properties::FluidSystem>>; };

//! Let the flash solver choose its tolerance by default
template<class TypeTag>
struct FlashTolerance<TypeTag, TTag::FlashModel>
{
    using type = GetPropType<TypeTag, Scalar>;
    static constexpr type value = -1.0;
};

//! the Model property
template<class TypeTag>
struct Model<TypeTag, TTag::FlashModel> { using type = Opm::FlashModel<TypeTag>; };

//! the PrimaryVariables property
template<class TypeTag>
struct PrimaryVariables<TypeTag, TTag::FlashModel> { using type = Opm::FlashPrimaryVariables<TypeTag>; };

//! the RateVector property
template<class TypeTag>
struct RateVector<TypeTag, TTag::FlashModel> { using type = Opm::FlashRateVector<TypeTag>; };

//! the BoundaryRateVector property
template<class TypeTag>
struct BoundaryRateVector<TypeTag, TTag::FlashModel> { using type = Opm::FlashBoundaryRateVector<TypeTag>; };

//! the IntensiveQuantities property
template<class TypeTag>
struct IntensiveQuantities<TypeTag, TTag::FlashModel> { using type = Opm::FlashIntensiveQuantities<TypeTag>; };

//! the ExtensiveQuantities property
template<class TypeTag>
struct ExtensiveQuantities<TypeTag, TTag::FlashModel> { using type = Opm::FlashExtensiveQuantities<TypeTag>; };

//! The indices required by the flash-baseed isothermal compositional model
template<class TypeTag>
struct Indices<TypeTag, TTag::FlashModel> { using type = Opm::FlashIndices<TypeTag, /*PVIdx=*/0>; };

// disable molecular diffusion by default
template<class TypeTag>
struct EnableDiffusion<TypeTag, TTag::FlashModel> { static constexpr bool value = false; };

//! Disable the energy equation by default
template<class TypeTag>
struct EnableEnergy<TypeTag, TTag::FlashModel> { static constexpr bool value = false; };

} // namespace Opm::Properties

namespace Opm::Parameters {

// The updates of intensive quantities tend to be _very_ expensive for this
// model, so let's try to minimize the number of required ones
template<class TypeTag>
struct EnableIntensiveQuantityCache<TypeTag, Properties::TTag::FlashModel>
{ static constexpr bool value = true; };

// since thermodynamic hints are basically free if the cache for intensive quantities is
// enabled, and this model usually shows quite a performance improvment if they are
// enabled, let's enable them by default.
template<class TypeTag>
struct EnableThermodynamicHints<TypeTag, Properties::TTag::FlashModel>
{ static constexpr bool value = true; };

} // namespace Opm::Parameters

namespace Opm {

/*!
 * \ingroup FlashModel
 *
 * \brief A compositional multi-phase model based on flash-calculations
 *
 * This model assumes a flow of \f$M \geq 1\f$ fluid phases
 * \f$\alpha\f$, each of which is assumed to be a mixture \f$N \geq
 * M\f$ chemical species (denoted by the upper index \f$\kappa\f$).
 *
 * By default, the standard multi-phase Darcy approach is used to determine
 * the velocity, i.e.
 * \f[
 * \mathbf{v}_\alpha =
 * - \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K}
 * \left(\mathbf{grad}\, p_\alpha
 *       - \varrho_{\alpha} \mathbf{g} \right) \;,
 * \f]
 * although the actual approach which is used can be specified via the
 * \c FluxModule property. For example, the velocity model can by
 * changed to the Forchheimer approach by
 * \code
 * template<class TypeTag>
struct FluxModule<TypeTag, TTag::MyProblemTypeTag> { using type = Opm::ForchheimerFluxModule<TypeTag>; };
 * \endcode
 *
 * The core of the model is the conservation mass of each component by
 * means of the equation
 * \f[
 * \sum_\alpha \frac{\partial\;\phi c_\alpha^\kappa S_\alpha }{\partial t}
 * - \sum_\alpha \mathrm{div} \left\{ c_\alpha^\kappa \mathbf{v}_\alpha \right\}
 * - q^\kappa = 0 \;.
 * \f]
 *
 * To determine the quanties that occur in the equations above, this
 * model uses <i>flash calculations</i>. A flash solver starts with
 * the total mass or molar mass per volume for each component and,
 * calculates the compositions, saturations and pressures of all
 * phases at a given temperature. For this the flash solver has to use
 * some model assumptions internally. (Often these are the same
 * primary variable switching or NCP assumptions as used by the other
 * fully implicit compositional multi-phase models provided by eWoms.)
 *
 * Using flash calculations for the flow model has some disadvantages:
 * - The accuracy of the flash solver needs to be sufficient to
 *   calculate the parital derivatives using numerical differentiation
 *   which are required for the Newton scheme.
 * - Flash calculations tend to be quite computationally expensive and
 *   are often numerically unstable.
 *
 * It is thus adviced to increase the target tolerance of the Newton
 * scheme or a to use type for scalar values which exhibits higher
 * precision than the standard \c double (e.g. \c quad) if this model
 * ought to be used.
 *
 * The model uses the following primary variables:
 * - The total molar concentration of each component:
 *   \f$c^\kappa = \sum_\alpha S_\alpha x_\alpha^\kappa \rho_{mol, \alpha}\f$
 * - The absolute temperature $T$ in Kelvins if the energy equation enabled.
 */
template <class TypeTag>
class FlashModel
    : public MultiPhaseBaseModel<TypeTag>
{
    using ParentType = MultiPhaseBaseModel<TypeTag>;

    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using Simulator = GetPropType<TypeTag, Properties::Simulator>;

    using Indices = GetPropType<TypeTag, Properties::Indices>;

    enum { numComponents = getPropValue<TypeTag, Properties::NumComponents>() };
    enum { enableDiffusion = getPropValue<TypeTag, Properties::EnableDiffusion>() };
    enum { enableEnergy = getPropValue<TypeTag, Properties::EnableEnergy>() };


    using EnergyModule = Opm::EnergyModule<TypeTag, enableEnergy>;

public:
    FlashModel(Simulator& simulator)
        : ParentType(simulator)
    {}

    /*!
     * \brief Register all run-time parameters for the immiscible model.
     */
    static void registerParameters()
    {
        ParentType::registerParameters();

        // register runtime parameters of the VTK output modules
        Opm::VtkCompositionModule<TypeTag>::registerParameters();

        if (enableDiffusion)
            Opm::VtkDiffusionModule<TypeTag>::registerParameters();

        if (enableEnergy)
            Opm::VtkEnergyModule<TypeTag>::registerParameters();

        Parameters::registerParam<TypeTag, Properties::FlashTolerance>
            ("The maximum tolerance for the flash solver to "
             "consider the solution converged");
    }

    /*!
     * \copydoc FvBaseDiscretization::name
     */
    static std::string name()
    { return "flash"; }

    /*!
     * \copydoc FvBaseDiscretization::primaryVarName
     */
    std::string primaryVarName(unsigned pvIdx) const
    {
        const std::string& tmp = EnergyModule::primaryVarName(pvIdx);
        if (tmp != "")
            return tmp;

        std::ostringstream oss;
        if (Indices::cTot0Idx <= pvIdx && pvIdx < Indices::cTot0Idx
                                                  + numComponents)
            oss << "c_tot," << FluidSystem::componentName(/*compIdx=*/pvIdx
                                                          - Indices::cTot0Idx);
        else
            assert(false);

        return oss.str();
    }

    /*!
     * \copydoc FvBaseDiscretization::eqName
     */
    std::string eqName(unsigned eqIdx) const
    {
        const std::string& tmp = EnergyModule::eqName(eqIdx);
        if (tmp != "")
            return tmp;

        std::ostringstream oss;
        if (Indices::conti0EqIdx <= eqIdx && eqIdx < Indices::conti0EqIdx
                                                     + numComponents) {
            unsigned compIdx = eqIdx - Indices::conti0EqIdx;
            oss << "continuity^" << FluidSystem::componentName(compIdx);
        }
        else
            assert(false);

        return oss.str();
    }

    /*!
     * \copydoc FvBaseDiscretization::primaryVarWeight
     */
    Scalar primaryVarWeight(unsigned globalDofIdx, unsigned pvIdx) const
    {
        Scalar tmp = EnergyModule::primaryVarWeight(*this, globalDofIdx, pvIdx);
        if (tmp > 0)
            return tmp;

        unsigned compIdx = pvIdx - Indices::cTot0Idx;

        // make all kg equal. also, divide the weight of all total
        // compositions by 100 to make the relative errors more
        // comparable to the ones of the other models (at 10% porosity
        // the medium is fully saturated with water at atmospheric
        // conditions if 100 kg/m^3 are present!)
        return FluidSystem::molarMass(compIdx) / 100.0;
    }

    /*!
     * \copydoc FvBaseDiscretization::eqWeight
     */
    Scalar eqWeight(unsigned globalDofIdx, unsigned eqIdx) const
    {
        Scalar tmp = EnergyModule::eqWeight(*this, globalDofIdx, eqIdx);
        if (tmp > 0)
            return tmp;

        unsigned compIdx = eqIdx - Indices::conti0EqIdx;

        // make all kg equal
        return FluidSystem::molarMass(compIdx);
    }

    void registerOutputModules_()
    {
        ParentType::registerOutputModules_();

        // add the VTK output modules which are meaningful for the model
        this->addOutputModule(new Opm::VtkCompositionModule<TypeTag>(this->simulator_));
        if (enableDiffusion)
            this->addOutputModule(new Opm::VtkDiffusionModule<TypeTag>(this->simulator_));
        if (enableEnergy)
            this->addOutputModule(new Opm::VtkEnergyModule<TypeTag>(this->simulator_));
    }
};

} // namespace Opm

#endif