opm-simulators/opm/models/blackoil/blackoildiffusionmodule.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.
*/
/*!
* \file
*
* \brief Classes required for molecular diffusion.
*/
#ifndef EWOMS_DIFFUSION_MODULE_HH
#define EWOMS_DIFFUSION_MODULE_HH
#include <opm/models/discretization/common/fvbaseproperties.hh>
#include <opm/material/common/Valgrind.hpp>
#include <dune/common/fvector.hh>
#include <stdexcept>
namespace Opm {
/*!
* \ingroup Diffusion
* \class Opm::BlackOilDiffusionModule
* \brief Provides the auxiliary methods required for consideration of the
* diffusion equation.
*/
template <class TypeTag, bool enableDiffusion>
class BlackOilDiffusionModule;
template <class TypeTag, bool enableDiffusion>
class BlackOilDiffusionExtensiveQuantities;
/*!
* \copydoc Opm::BlackOilDiffusionModule
*/
template <class TypeTag>
class BlackOilDiffusionModule<TypeTag, /*enableDiffusion=*/false>
{
using Scalar = GetPropType<TypeTag, Properties::Scalar>;
using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
using RateVector = GetPropType<TypeTag, Properties::RateVector>;
public:
/*!
* \brief Register all run-time parameters for the diffusion module.
*/
static void registerParameters()
{}
/*!
* \brief Adds the diffusive mass flux flux to the flux vector over a flux
* integration point.
*/
template <class Context>
static void addDiffusiveFlux(RateVector&,
const Context&,
unsigned,
unsigned)
{}
};
/*!
* \copydoc Opm::BlackOilDiffusionModule
*/
template <class TypeTag>
class BlackOilDiffusionModule<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 = MathToolbox<Evaluation>;
public:
using ExtensiveQuantities = BlackOilDiffusionExtensiveQuantities<TypeTag,true>;
/*!
* \brief Register all run-time parameters for the diffusion module.
*/
static void registerParameters()
{}
/*!
* \brief Adds the mass flux due to molecular diffusion to the flux vector over the
* flux integration point.
*/
template <class Context>
static void addDiffusiveFlux(RateVector& flux, const Context& context,
unsigned spaceIdx, unsigned timeIdx)
{
// Only work if diffusion is enabled run-time by DIFFUSE in the deck
if(!FluidSystem::enableDiffusion())
return;
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();
const auto& diffusivity = extQuants.diffusivity();
const auto& effectiveDiffusionCoefficient = extQuants.effectiveDiffusionCoefficient();
addDiffusiveFlux(flux, fluidStateI, fluidStateJ, diffusivity, effectiveDiffusionCoefficient);
}
template<class FluidState,class EvaluationArray>
static void addDiffusiveFlux(RateVector& flux,
const FluidState& fluidStateI,
const FluidState& fluidStateJ,
const Evaluation& diffusivity,
const EvaluationArray& effectiveDiffusionCoefficient)
{
unsigned pvtRegionIndex = fluidStateI.pvtRegionIndex();
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
if (!FluidSystem::phaseIsActive(phaseIdx)) {
continue;
}
// no diffusion in water for blackoil models
if (!FluidSystem::enableDissolvedGasInWater() && FluidSystem::waterPhaseIdx == phaseIdx) {
continue;
}
// no diffusion in gas phase in water + gas system.
if (FluidSystem::gasPhaseIdx == phaseIdx && !FluidSystem::phaseIsActive(FluidSystem::oilPhaseIdx)) {
continue;
}
// arithmetic mean of the phase's b factor weighed by saturation
Evaluation bSAvg = fluidStateI.saturation(phaseIdx) * fluidStateI.invB(phaseIdx);
bSAvg += Toolbox::value(fluidStateJ.saturation(phaseIdx)) * Toolbox::value(fluidStateJ.invB(phaseIdx));
bSAvg /= 2;
// phase not present, skip
if(bSAvg < 1.0e-6)
continue;
Evaluation convFactor = 1.0;
Evaluation diffR = 0.0;
if (FluidSystem::enableDissolvedGas() && FluidSystem::phaseIsActive(FluidSystem::gasPhaseIdx) && phaseIdx == FluidSystem::oilPhaseIdx) {
Evaluation rsAvg = (fluidStateI.Rs() + Toolbox::value(fluidStateJ.Rs())) / 2;
convFactor = 1.0 / (toMolFractionGasOil(pvtRegionIndex) + rsAvg);
diffR = fluidStateI.Rs() - Toolbox::value(fluidStateJ.Rs());
}
if (FluidSystem::enableVaporizedOil() && FluidSystem::phaseIsActive(FluidSystem::oilPhaseIdx) && phaseIdx == FluidSystem::gasPhaseIdx) {
Evaluation rvAvg = (fluidStateI.Rv() + Toolbox::value(fluidStateJ.Rv())) / 2;
convFactor = toMolFractionGasOil(pvtRegionIndex) / (1.0 + rvAvg*toMolFractionGasOil(pvtRegionIndex));
diffR = fluidStateI.Rv() - Toolbox::value(fluidStateJ.Rv());
}
if (FluidSystem::enableDissolvedGasInWater() && phaseIdx == FluidSystem::waterPhaseIdx) {
Evaluation rsAvg = (fluidStateI.Rsw() + Toolbox::value(fluidStateJ.Rsw())) / 2;
convFactor = 1.0 / (toMolFractionGasWater(pvtRegionIndex) + rsAvg);
diffR = fluidStateI.Rsw() - Toolbox::value(fluidStateJ.Rsw());
}
// mass flux of solvent component (oil in oil or gas in gas)
unsigned solventCompIdx = FluidSystem::solventComponentIndex(phaseIdx);
unsigned activeSolventCompIdx = Indices::canonicalToActiveComponentIndex(solventCompIdx);
flux[conti0EqIdx + activeSolventCompIdx] +=
- bSAvg
* convFactor
* diffR
* diffusivity
* effectiveDiffusionCoefficient[phaseIdx][solventCompIdx];
// mass flux of solute component (gas in oil or oil in gas)
unsigned soluteCompIdx = FluidSystem::soluteComponentIndex(phaseIdx);
unsigned activeSoluteCompIdx = Indices::canonicalToActiveComponentIndex(soluteCompIdx);
flux[conti0EqIdx + activeSoluteCompIdx] +=
bSAvg
* diffR
* convFactor
* diffusivity
* effectiveDiffusionCoefficient[phaseIdx][soluteCompIdx];
}
}
private:
static Scalar toMolFractionGasOil (unsigned regionIdx) {
Scalar mMOil = FluidSystem::molarMass(FluidSystem::oilCompIdx, regionIdx);
Scalar rhoO = FluidSystem::referenceDensity(FluidSystem::oilPhaseIdx, regionIdx);
Scalar mMGas = FluidSystem::molarMass(FluidSystem::gasCompIdx, regionIdx);
Scalar rhoG = FluidSystem::referenceDensity(FluidSystem::gasPhaseIdx, regionIdx);
return rhoO * mMGas / (rhoG * mMOil);
}
static Scalar toMolFractionGasWater (unsigned regionIdx) {
Scalar mMWater = FluidSystem::molarMass(FluidSystem::waterCompIdx, regionIdx);
Scalar rhoW = FluidSystem::referenceDensity(FluidSystem::waterPhaseIdx, regionIdx);
Scalar mMGas = FluidSystem::molarMass(FluidSystem::gasCompIdx, regionIdx);
Scalar rhoG = FluidSystem::referenceDensity(FluidSystem::gasPhaseIdx, regionIdx);
return rhoW * mMGas / (rhoG * mMWater);
}
};
/*!
* \ingroup Diffusion
* \class Opm::BlackOilDiffusionIntensiveQuantities
*
* \brief Provides the volumetric quantities required for the
* calculation of molecular diffusive fluxes.
*/
template <class TypeTag, bool enableDiffusion>
class BlackOilDiffusionIntensiveQuantities;
/*!
* \copydoc Opm::DiffusionIntensiveQuantities
*/
template <class TypeTag>
class BlackOilDiffusionIntensiveQuantities<TypeTag, /*enableDiffusion=*/false>
{
using Scalar = GetPropType<TypeTag, Properties::Scalar>;
using ElementContext = GetPropType<TypeTag, Properties::ElementContext>;
using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
public:
/*!
* \brief Returns the tortuousity of the sub-domain of a fluid
* phase in the porous medium.
*/
Scalar tortuosity(unsigned) const
{
throw std::logic_error("Method tortuosity() does not make sense "
"if diffusion is disabled");
}
/*!
* \brief Returns the molecular diffusion coefficient for a
* component in a phase.
*/
Scalar diffusionCoefficient(unsigned, unsigned) const
{
throw std::logic_error("Method diffusionCoefficient() does not "
"make sense if diffusion is disabled");
}
/*!
* \brief Returns the effective molecular diffusion coefficient of
* the porous medium for a component in a phase.
*/
Scalar effectiveDiffusionCoefficient(unsigned, unsigned) const
{
throw std::logic_error("Method effectiveDiffusionCoefficient() "
"does not make sense if diffusion is disabled");
}
protected:
/*!
* \brief Update the quantities required to calculate diffusive
* mass fluxes.
*/
template <class FluidState>
void update_(FluidState&,
typename FluidSystem::template ParameterCache<typename FluidState::Scalar>&,
const ElementContext&,
unsigned,
unsigned)
{ }
};
/*!
* \copydoc Opm::DiffusionIntensiveQuantities
*/
template <class TypeTag>
class BlackOilDiffusionIntensiveQuantities<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>;
using IntensiveQuantities = GetPropType<TypeTag, Properties::IntensiveQuantities>;
enum { numPhases = FluidSystem::numPhases };
enum { numComponents = FluidSystem::numComponents };
public:
BlackOilDiffusionIntensiveQuantities() = default;
BlackOilDiffusionIntensiveQuantities(BlackOilDiffusionIntensiveQuantities&&) noexcept = default;
BlackOilDiffusionIntensiveQuantities(const BlackOilDiffusionIntensiveQuantities&) = default;
BlackOilDiffusionIntensiveQuantities& operator=(BlackOilDiffusionIntensiveQuantities&&) noexcept = default;
BlackOilDiffusionIntensiveQuantities&
operator=(const BlackOilDiffusionIntensiveQuantities& rhs)
{
if (this == &rhs) return *this;
if (FluidSystem::enableDiffusion()) {
std::copy(rhs.tortuosity_, rhs.tortuosity_ + numPhases, tortuosity_);
for (size_t i = 0; i < numPhases; ++i) {
std::copy(rhs.diffusionCoefficient_[i],
rhs.diffusionCoefficient_[i]+numComponents,
diffusionCoefficient_[i]);
}
}
return *this;
}
/*!
* \brief Returns the molecular diffusion coefficient for a
* component in a phase.
*/
Evaluation diffusionCoefficient(unsigned phaseIdx, unsigned compIdx) const
{ return diffusionCoefficient_[phaseIdx][compIdx]; }
/*!
* \brief Returns the tortuousity of the sub-domain of a fluid
* phase in the porous medium.
*/
Evaluation tortuosity(unsigned phaseIdx) const
{ return tortuosity_[phaseIdx]; }
/*!
* \brief Returns the effective molecular diffusion coefficient of
* the porous medium for a component in a phase.
*/
Evaluation effectiveDiffusionCoefficient(unsigned phaseIdx, unsigned compIdx) const
{
// For the blackoil model tortuosity is disabled.
// TODO add a run-time parameter to enable tortuosity
static bool enableTortuosity = false;
if (enableTortuosity)
return tortuosity_[phaseIdx] * diffusionCoefficient_[phaseIdx][compIdx];
return diffusionCoefficient_[phaseIdx][compIdx];
}
protected:
/*!
* \brief Update the quantities required to calculate diffusive
* mass fluxes.
*/
template <class FluidState>
void update_(FluidState& fluidState,
typename FluidSystem::template ParameterCache<typename FluidState::Scalar>& paramCache,
const ElementContext& elemCtx,
unsigned dofIdx,
unsigned timeIdx)
{
// Only work if diffusion is enabled run-time by DIFFUSE in the deck
if(!FluidSystem::enableDiffusion())
return;
const auto& intQuants = elemCtx.intensiveQuantities(dofIdx, timeIdx);
update_(fluidState, paramCache, intQuants);
}
template<class FluidState>
void update_(FluidState& fluidState,
typename FluidSystem::template ParameterCache<typename FluidState::Scalar>& paramCache,
const IntensiveQuantities& intQuants) {
using Toolbox = MathToolbox<Evaluation>;
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
if (!FluidSystem::phaseIsActive(phaseIdx)) {
continue;
}
// no diffusion in water for blackoil models
if (!FluidSystem::enableDissolvedGasInWater() && FluidSystem::waterPhaseIdx == phaseIdx) {
continue;
}
// Based on Millington, R. J., & Quirk, J. P. (1961).
// \Note: it is possible to use NumericalConstants later
// constexpr auto& numconst = GetPropValue<TypeTag, Properties::NumericalConstants>;
constexpr double myeps = 0.0001; //numconst.blackoildiffusionmoduleeps;
const Evaluation& base =
Toolbox::max(myeps, //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:
Evaluation tortuosity_[numPhases];
Evaluation diffusionCoefficient_[numPhases][numComponents];
};
/*!
* \ingroup Diffusion
* \class Opm::BlackOilDiffusionExtensiveQuantities
*
* \brief Provides the quantities required to calculate diffusive mass fluxes.
*/
template <class TypeTag, bool enableDiffusion>
class BlackOilDiffusionExtensiveQuantities;
/*!
* \copydoc Opm::DiffusionExtensiveQuantities
*/
template <class TypeTag>
class BlackOilDiffusionExtensiveQuantities<TypeTag, /*enableDiffusion=*/false>
{
using Scalar = GetPropType<TypeTag, Properties::Scalar>;
using Evaluation = GetPropType<TypeTag, Properties::Evaluation>;
using ElementContext = GetPropType<TypeTag, Properties::ElementContext>;
protected:
/*!
* \brief Update the quantities required to calculate
* the diffusive mass fluxes.
*/
void update_(const ElementContext&,
unsigned,
unsigned)
{}
template <class Context, class FluidState>
void updateBoundary_(const Context&,
unsigned,
unsigned,
const FluidState&)
{}
public:
/*!
* \brief The diffusivity the face.
*
*/
const Scalar& diffusivity() const
{
throw std::logic_error("The method diffusivity() does not "
"make sense if diffusion is disabled.");
}
/*!
* \brief The effective diffusion coeffcient of a component in a
* fluid phase at the face's integration point
*
* \copydoc Doxygen::phaseIdxParam
* \copydoc Doxygen::compIdxParam
*/
const Evaluation& effectiveDiffusionCoefficient(unsigned,
unsigned) const
{
throw std::logic_error("The method effectiveDiffusionCoefficient() "
"does not make sense if diffusion is disabled.");
}
};
/*!
* \copydoc Opm::BlackOilDiffusionExtensiveQuantities
*/
template <class TypeTag>
class BlackOilDiffusionExtensiveQuantities<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>;
using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
using Toolbox = MathToolbox<Evaluation>;
using IntensiveQuantities = GetPropType<TypeTag, Properties::IntensiveQuantities>;
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>;
public:
using EvaluationArray = Evaluation[numPhases][numComponents];
protected:
/*!
* \brief Update the quantities required to calculate
* the diffusive mass fluxes.
*/
void update_(const ElementContext& elemCtx, unsigned faceIdx, unsigned timeIdx)
{
// Only work if diffusion is enabled run-time by DIFFUSE in the deck
if(!FluidSystem::enableDiffusion())
return;
const auto& stencil = elemCtx.stencil(timeIdx);
const auto& face = stencil.interiorFace(faceIdx);
const auto& extQuants = elemCtx.extensiveQuantities(faceIdx, timeIdx);
const auto& intQuantsInside = elemCtx.intensiveQuantities(extQuants.interiorIndex(), timeIdx);
const auto& intQuantsOutside = elemCtx.intensiveQuantities(extQuants.exteriorIndex(), timeIdx);
const Scalar diffusivity = elemCtx.problem().diffusivity(elemCtx, face.interiorIndex(), face.exteriorIndex());
const Scalar faceArea = face.area();
diffusivity_ = diffusivity / faceArea;
update(effectiveDiffusionCoefficient_, intQuantsInside, intQuantsOutside);
Valgrind::CheckDefined(diffusivity_);
}
public:
static void update(EvaluationArray& effectiveDiffusionCoefficient,
const IntensiveQuantities& intQuantsInside,
const IntensiveQuantities& intQuantsOutside) {
// opm-models expects per area flux
for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
if (!FluidSystem::phaseIsActive(phaseIdx)) {
continue;
}
// no diffusion in water for blackoil models
if (!FluidSystem::enableDissolvedGasInWater() && FluidSystem::waterPhaseIdx == phaseIdx) {
continue;
}
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
// use the arithmetic average for the effective
// diffusion coefficients.
effectiveDiffusionCoefficient[phaseIdx][compIdx] = 0.5 *
( intQuantsInside.effectiveDiffusionCoefficient(phaseIdx, compIdx) +
intQuantsOutside.effectiveDiffusionCoefficient(phaseIdx, compIdx) );
Valgrind::CheckDefined(effectiveDiffusionCoefficient[phaseIdx][compIdx]);
}
}
}
protected:
template <class Context, class FluidState>
void updateBoundary_(const Context&,
unsigned,
unsigned,
const FluidState&)
{
throw std::runtime_error("Not implemented: Diffusion across boundary not implemented for blackoil");
}
public:
/*!
* \brief The diffusivity of the face.
*
* \copydoc Doxygen::phaseIdxParam
* \copydoc Doxygen::compIdxParam
*/
const Scalar& diffusivity() const
{ return diffusivity_; }
/*!
* \brief The effective diffusion coeffcient of a component in a
* fluid phase at the face's integration point
*
* \copydoc Doxygen::phaseIdxParam
* \copydoc Doxygen::compIdxParam
*/
const Evaluation& effectiveDiffusionCoefficient(unsigned phaseIdx, unsigned compIdx) const
{ return effectiveDiffusionCoefficient_[phaseIdx][compIdx]; }
const auto& effectiveDiffusionCoefficient() const{
return effectiveDiffusionCoefficient_;
}
private:
Scalar diffusivity_;
EvaluationArray effectiveDiffusionCoefficient_;
};
} // namespace Opm
#endif