diff --git a/CHANGELOG.md b/CHANGELOG.md index 20da219a8e21da231be1182ce3205a5bc50df9ab..0ca546f6e971d45ec3c0b0fe9ca96466d12e200e 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -50,6 +50,29 @@ for (const auto& element : elements(gridGeometry.gridView())) - __Embedded coupling__: Add a coupling manager for the 1D-3D projection based scheme with resolved interface introduced in Koch 2021 (https://arxiv.org/abs/2106.06358) +- __Dispersion__: Dispersion fluxes have been added as an option for the compositional and thermal porous medium flow models. These models use either a scheidegger dispersion tensor, which is dependent on the velocity field and two length parameters, or a full open tensor that can be user defined. For compositional models coupled with flow models (e.g. 1pnc), using the scheidegger dispersion tensor is only allowed when using the box discretization method. Otherwise all dispersion fluxes should be availble for the tpfa and the box discretization methods. + +To enable either thermal or compositional dispersion, please define these properties within your `properties.hh` header. For example: +```cpp +template<class TypeTag> +struct EnableCompositionalDispersion<TypeTag, TTag::MyTest> { static constexpr bool value = true; }; +template<class TypeTag> +struct EnableThermalDispersion<TypeTag, TTag::MyTest> { static constexpr bool value = true; }; +``` + +To determine which type of dispersion tensor you would prefer to use, please define this property within your `properties.hh` header. For example: +```cpp +template<class TypeTag> +struct DispersionTensorType<TypeTag, TTag::MyTest> { using type = ScheideggersDispersionTensor<TypeTag>; }; +``` +or +```cpp +template<class TypeTag> +struct DispersionTensorType<TypeTag, TTag::MyTest> { using type = FullDispersionTensor<TypeTag>; }; +``` + +The parameters describing your dispersion tensor can then be included in your `spatialparameters.hh` file, and passed via input parameters. An example of this can be seen in the `test/porousmediumflow/1pnc/dispersion/` folder, and in the `test/porousmediumflow/tracer/constvel/` folders. + ### Immediate interface changes not allowing/requiring a deprecation period: - __Virtual interface of GridDataTransfer__: The `GridDataTransfer` abstract base class now required the Grid type as a template argument. Furthermore, the `store` and `reconstruct` interface functions do now expect the grid as a function argument. This allows to correctly update grid geometries and corresponding mapper (see "Construction and update of GridGeometries changed" above in the changelog) - `PengRobinsonMixture::computeMolarVolumes` has been removed without deprecation. It was used nowhere and did not translate. diff --git a/dumux/common/deprecated.hh b/dumux/common/deprecated.hh index 905938784b50dd0794231504a6d5c6a78d36887c..164a27832df9ecf14b2c976f75108666871913d8 100644 --- a/dumux/common/deprecated.hh +++ b/dumux/common/deprecated.hh @@ -68,6 +68,19 @@ template<class BcTypes> static constexpr bool hasHasWallBC() { return Dune::Std::is_detected<HasWallBCDetector, BcTypes>::value; } +template <typename ModelTraits> +using HasEnableCompositionalDispersionDetector = decltype(ModelTraits::enableCompositionalDispersion()); + +template<class ModelTraits> +static constexpr bool hasEnableCompositionalDispersion() +{ return Dune::Std::is_detected<HasEnableCompositionalDispersionDetector, ModelTraits>::value; } + +template <typename ModelTraits> +using HasEnableThermalDispersionDetector = decltype(ModelTraits::enableThermalDispersion()); + +template<class ModelTraits> +static constexpr bool hasEnableThermalDispersion() +{ return Dune::Std::is_detected<HasEnableThermalDispersionDetector, ModelTraits>::value; } } // end namespace Deprecated #endif diff --git a/dumux/common/properties.hh b/dumux/common/properties.hh index e1b02f19381f1af1e6fc07883ad6379d755f0d71..95e1fdc9a62e946cd86a36c59d87e6f013b8da14 100644 --- a/dumux/common/properties.hh +++ b/dumux/common/properties.hh @@ -87,6 +87,10 @@ template<class TypeTag, class MyTypeTag> struct ReplaceCompEqIdx { using type = UndefinedProperty; }; //!< The component balance index that should be replaced by the total mass/mole balance template<class TypeTag, class MyTypeTag> struct BalanceEqOpts { using type = UndefinedProperty; }; //!< A class that collects options for the evaluation of the balance equations +template<class TypeTag, class MyTypeTag> +struct EnableCompositionalDispersion { using type = UndefinedProperty; }; //!< Property whether to include compositional dispersion +template<class TypeTag, class MyTypeTag> +struct EnableThermalDispersion { using type = UndefinedProperty; }; //!< Property whether to include thermal dispersion ///////////////////////////////////////////// // Properties used by finite volume schemes: @@ -140,10 +144,14 @@ struct SolutionDependentAdvection { using type = UndefinedProperty; }; template<class TypeTag, class MyTypeTag> struct MolecularDiffusionType { using type = UndefinedProperty; }; //!< The type for the calculation of the molecular diffusion fluxes template<class TypeTag, class MyTypeTag> +struct DispersionFluxType { using type = UndefinedProperty; }; //!< The type for the calculation of the dispersive fluxes +template<class TypeTag, class MyTypeTag> struct SolutionDependentMolecularDiffusion { using type = UndefinedProperty; }; //!< specifies if the parameters for the diffusive fluxes depend on the solution template<class TypeTag, class MyTypeTag> struct HeatConductionType { using type = UndefinedProperty; }; //!< The type for the calculation of the heat conduction fluxes template<class TypeTag, class MyTypeTag> +struct DispersionTensorType { using type = UndefinedProperty; }; //!< The type for the calculation of the dispersion tensor +template<class TypeTag, class MyTypeTag> struct SolutionDependentHeatConduction { using type = UndefinedProperty; }; //!< specifies if the parameters for the heat conduction fluxes depend on the solution template<class TypeTag, class MyTypeTag> diff --git a/dumux/flux/box/dispersionflux.hh b/dumux/flux/box/dispersionflux.hh new file mode 100644 index 0000000000000000000000000000000000000000..4607b3f0afb3b29eef98507faf98992e90873b08 --- /dev/null +++ b/dumux/flux/box/dispersionflux.hh @@ -0,0 +1,167 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup BoxFlux + * \brief This file contains the data which is required to calculate + * dispersive fluxes. + */ +#ifndef DUMUX_DISCRETIZATION_BOX_DISPERSION_FLUX_HH +#define DUMUX_DISCRETIZATION_BOX_DISPERSION_FLUX_HH + +#include <dune/common/fvector.hh> +#include <dune/common/fmatrix.hh> + +#include <dumux/common/math.hh> +#include <dumux/common/properties.hh> +#include <dumux/discretization/method.hh> +#include <dumux/discretization/extrusion.hh> +#include <dumux/flux/traits.hh> + +namespace Dumux { + +// forward declaration +template<class TypeTag, class DiscretizationMethod, ReferenceSystemFormulation referenceSystem> +class OnePDispersionFluxImplementation; + +/*! + * \ingroup BoxFlux + * \brief Specialization of a dispersion flux for the box method + */ +template <class TypeTag, ReferenceSystemFormulation referenceSystem> +class OnePDispersionFluxImplementation<TypeTag, DiscretizationMethods::Box, referenceSystem> +{ + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + using Problem = GetPropType<TypeTag, Properties::Problem>; + using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; + using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>; + using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; + using FVElementGeometry = typename GridGeometry::LocalView; + using SubControlVolume = typename GridGeometry::SubControlVolume; + using SubControlVolumeFace = typename GridGeometry::SubControlVolumeFace; + using Extrusion = Extrusion_t<GridGeometry>; + using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; + using ElementFluxVariablesCache = typename GetPropType<TypeTag, Properties::GridFluxVariablesCache>::LocalView; + using FluxVarCache = GetPropType<TypeTag, Properties::FluxVariablesCache>; + using FluxVariables = GetPropType<TypeTag, Properties::FluxVariables>; + using FluxTraits = typename Dumux::FluxTraits<FluxVariables>; + using BalanceEqOpts = GetPropType<TypeTag, Properties::BalanceEqOpts>; + using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; + using Element = typename GridView::template Codim<0>::Entity; + using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; + + enum { dim = GridView::dimension} ; + enum { dimWorld = GridView::dimensionworld} ; + enum + { + numPhases = ModelTraits::numFluidPhases(), + numComponents = ModelTraits::numFluidComponents() + }; + + using DimWorldMatrix = Dune::FieldMatrix<Scalar, dimWorld, dimWorld>; + using ComponentFluxVector = Dune::FieldVector<Scalar, numComponents>; + using HeatFluxScalar = Scalar; + + static constexpr bool stationaryVelocityField = FluxTraits::hasStationaryVelocityField(); + +public: + + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() + { return referenceSystem; } + + /*! + * \brief Returns the dispersive fluxes of all components within + * a fluid phase across the given sub-control volume face. + * The computed fluxes are given in mole/s or kg/s, depending + * on the template parameter ReferenceSystemFormulation. + */ + static ComponentFluxVector compositionalDispersionFlux(const Problem& problem, + const Element& element, + const FVElementGeometry& fvGeometry, + const ElementVolumeVariables& elemVolVars, + const SubControlVolumeFace& scvf, + const int phaseIdx, + const ElementFluxVariablesCache& elemFluxVarsCache) + { + ComponentFluxVector componentFlux(0.0); + + // collect the dispersion tensor, the fluxVarsCache and the shape values + const DimWorldMatrix dispersionTensor = VolumeVariables::DispersionTensorType::dispersionTensor(problem, scvf, fvGeometry, + elemVolVars, elemFluxVarsCache); + + const auto& fluxVarsCache = elemFluxVarsCache[scvf]; + const auto& shapeValues = fluxVarsCache.shapeValues(); + + // density interpolation + Scalar rhoMassOrMole(0.0); + for (auto&& scv : scvs(fvGeometry)) + { + const auto rho = massOrMolarDensity(elemVolVars[scv], referenceSystem, phaseIdx); + rhoMassOrMole += rho * shapeValues[scv.indexInElement()][0]; + } + + for (int compIdx = 0; compIdx < numComponents; compIdx++) + { + // the mole/mass fraction gradient + Dune::FieldVector<Scalar, dimWorld> gradX(0.0); + for (auto&& scv : scvs(fvGeometry)) + { + const auto x = massOrMoleFraction(elemVolVars[scv], referenceSystem, phaseIdx, compIdx); + gradX.axpy(x, fluxVarsCache.gradN(scv.indexInElement())); + } + + // compute the dispersion flux + componentFlux[compIdx] = -1.0 * rhoMassOrMole * vtmv(scvf.unitOuterNormal(), dispersionTensor, gradX) * scvf.area(); + if (BalanceEqOpts::mainComponentIsBalanced(phaseIdx) && !FluidSystem::isTracerFluidSystem()) + componentFlux[phaseIdx] -= componentFlux[compIdx]; + } + return componentFlux; + } + + /*! + * \brief Returns the thermal dispersive flux + * across the given sub-control volume face. + */ + static HeatFluxScalar thermalDispersionFlux(const Problem& problem, + const Element& element, + const FVElementGeometry& fvGeometry, + const ElementVolumeVariables& elemVolVars, + const SubControlVolumeFace& scvf, + const int phaseIdx, + const ElementFluxVariablesCache& elemFluxVarsCache) + { + // collect the dispersion tensor + const DimWorldMatrix dispersionTensor = VolumeVariables::DispersionTensorType::dispersionTensor(problem, scvf, fvGeometry, + elemVolVars, elemFluxVarsCache); + // compute the temperature gradient with the shape functions + const auto& fluxVarsCache = elemFluxVarsCache[scvf]; + Dune::FieldVector<Scalar, GridView::dimensionworld> gradTemp(0.0); + for (auto&& scv : scvs(fvGeometry)) + gradTemp.axpy(elemVolVars[scv].temperature(), fluxVarsCache.gradN(scv.indexInElement())); + + // compute the heat conduction flux + return -1.0*vtmv(scvf.unitOuterNormal(), dispersionTensor, gradTemp)*Extrusion::area(scvf); + } + +}; + +} // end namespace Dumux + +#endif diff --git a/dumux/flux/cctpfa/dispersionflux.hh b/dumux/flux/cctpfa/dispersionflux.hh new file mode 100644 index 0000000000000000000000000000000000000000..af2dad28aa054580e7fe297b568edecde51e8e0d --- /dev/null +++ b/dumux/flux/cctpfa/dispersionflux.hh @@ -0,0 +1,168 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup CCTpfaFlux + * \brief This file contains the data which is required to calculate + * dispersive fluxes. + */ +#ifndef DUMUX_DISCRETIZATION_CC_TPFA_DISPERSION_FLUX_HH +#define DUMUX_DISCRETIZATION_CC_TPFA_DISPERSION_FLUX_HH + +#include <dune/common/fvector.hh> +#include <dune/common/fmatrix.hh> + +#include <dumux/common/math.hh> +#include <dumux/common/properties.hh> +#include <dumux/discretization/method.hh> +#include <dumux/discretization/extrusion.hh> +#include <dumux/discretization/cellcentered/tpfa/computetransmissibility.hh> +#include <dumux/flux/traits.hh> + +namespace Dumux { + +// forward declaration +template<class TypeTag, class DiscretizationMethod, ReferenceSystemFormulation referenceSystem> +class OnePDispersionFluxImplementation; + +/*! + * \ingroup CCTpfaFlux + * \brief Specialization of a Dispersion flux for the cctpfa method + */ +template <class TypeTag, ReferenceSystemFormulation referenceSystem> +class OnePDispersionFluxImplementation<TypeTag, DiscretizationMethods::CCTpfa, referenceSystem> +{ + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + using Problem = GetPropType<TypeTag, Properties::Problem>; + using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; + using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>; + using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; + using FVElementGeometry = typename GridGeometry::LocalView; + using SubControlVolume = typename GridGeometry::SubControlVolume; + using SubControlVolumeFace = typename GridGeometry::SubControlVolumeFace; + using Extrusion = Extrusion_t<GridGeometry>; + using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; + using ElementFluxVariablesCache = typename GetPropType<TypeTag, Properties::GridFluxVariablesCache>::LocalView; + using FluxVarCache = GetPropType<TypeTag, Properties::FluxVariablesCache>; + using FluxVariables = GetPropType<TypeTag, Properties::FluxVariables>; + using FluxTraits = typename Dumux::FluxTraits<FluxVariables>; + using BalanceEqOpts = GetPropType<TypeTag, Properties::BalanceEqOpts>; + using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; + using Element = typename GridView::template Codim<0>::Entity; + using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; + + enum { dim = GridView::dimension} ; + enum { dimWorld = GridView::dimensionworld} ; + enum + { + numPhases = ModelTraits::numFluidPhases(), + numComponents = ModelTraits::numFluidComponents() + }; + + using DimWorldMatrix = Dune::FieldMatrix<Scalar, dimWorld, dimWorld>; + using ComponentFluxVector = Dune::FieldVector<Scalar, numComponents>; + using HeatFluxScalar = Scalar; + + static constexpr bool stationaryVelocityField = FluxTraits::hasStationaryVelocityField(); + +public: + + //return the reference system + static constexpr ReferenceSystemFormulation referenceSystemFormulation() + { return referenceSystem; } + + /*! + * \brief Returns the dispersive fluxes of all components within + * a fluid phase across the given sub-control volume face. + * The computed fluxes are given in mole/s or kg/s, depending + * on the template parameter ReferenceSystemFormulation. + */ + static ComponentFluxVector compositionalDispersionFlux(const Problem& problem, + const Element& element, + const FVElementGeometry& fvGeometry, + const ElementVolumeVariables& elemVolVars, + const SubControlVolumeFace& scvf, + const int phaseIdx, + const ElementFluxVariablesCache& elemFluxVarsCache) + { + if (scvf.numOutsideScvs() > 1 ) + DUNE_THROW(Dune::NotImplemented, "\n Dispersion using ccTPFA is only implemented for conforming grids."); + if (!stationaryVelocityField) + DUNE_THROW(Dune::NotImplemented, "\n Dispersion using ccTPFA is only implemented for problems with stationary velocity fields"); + + ComponentFluxVector componentFlux(0.0); + const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; + const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; + + const DimWorldMatrix dispersionTensor = VolumeVariables::DispersionTensorType::dispersionTensor(problem, scvf, fvGeometry, + elemVolVars, elemFluxVarsCache); + const auto dij = computeTpfaTransmissibility(scvf, fvGeometry.scv(scvf.insideScvIdx()), dispersionTensor, insideVolVars.extrusionFactor()); + + const auto rhoInside = massOrMolarDensity(insideVolVars, referenceSystem, phaseIdx); + const auto rhoOutside = massOrMolarDensity(outsideVolVars, referenceSystem, phaseIdx); + const Scalar rho = 0.5*(rhoInside + rhoOutside); + + for (int compIdx = 0; compIdx < numComponents; compIdx++) + { + const auto xInside = massOrMoleFraction(insideVolVars, referenceSystem, phaseIdx, compIdx); + const auto xOutide = massOrMoleFraction(outsideVolVars, referenceSystem, phaseIdx, compIdx); + + componentFlux[compIdx] = (rho * (xInside-xOutide) * dij) * scvf.area(); + } + return componentFlux; + } + + + /*! + * \brief Returns the thermal dispersive flux + * across the given sub-control volume face. + */ + static HeatFluxScalar thermalDispersionFlux(const Problem& problem, + const Element& element, + const FVElementGeometry& fvGeometry, + const ElementVolumeVariables& elemVolVars, + const SubControlVolumeFace& scvf, + const int phaseIdx, + const ElementFluxVariablesCache& elemFluxVarsCache) + { + if (scvf.numOutsideScvs() > 1 ) + DUNE_THROW(Dune::NotImplemented, "\n Dispersion using ccTPFA is only implemented for conforming grids."); + if (!stationaryVelocityField) + DUNE_THROW(Dune::NotImplemented, "\n Dispersion using ccTPFA is only implemented for problems with stationary velocity fields"); + + const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; + const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; + + const DimWorldMatrix dispersionTensor = VolumeVariables::DispersionTensorType::dispersionTensor(problem, scvf, fvGeometry, + elemVolVars, elemFluxVarsCache); + const auto dij = computeTpfaTransmissibility(scvf, fvGeometry.scv(scvf.insideScvIdx()), dispersionTensor, insideVolVars.extrusionFactor()); + + // get the inside/outside temperatures + const auto tInside = insideVolVars.temperature(); + const auto tOutside = outsideVolVars.temperature(); + + // compute the heat conduction flux + return (tInside-tOutside) * dij * scvf.area(); + } + +}; + +} // end namespace Dumux + +#endif diff --git a/dumux/flux/dispersionflux.hh b/dumux/flux/dispersionflux.hh new file mode 100644 index 0000000000000000000000000000000000000000..3e53451593704bf67d5b0446a2f63a0028ecec96 --- /dev/null +++ b/dumux/flux/dispersionflux.hh @@ -0,0 +1,31 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup Flux + * \brief Dispersion flux for different discretization schemes + */ +#ifndef DUMUX_FLUX_DISPERSION_FLUX_HH +#define DUMUX_FLUX_DISPERSION_FLUX_HH + +#include <dumux/flux/dispersionflux_fwd.hh> +#include <dumux/flux/box/dispersionflux.hh> +#include <dumux/flux/cctpfa/dispersionflux.hh> + +#endif diff --git a/dumux/flux/dispersionflux_fwd.hh b/dumux/flux/dispersionflux_fwd.hh new file mode 100644 index 0000000000000000000000000000000000000000..8112a15a0bc1d238ebb186c0777b40258785c823 --- /dev/null +++ b/dumux/flux/dispersionflux_fwd.hh @@ -0,0 +1,47 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup Flux + * \brief Dispersion flux for different discretization schemes + */ +#ifndef DUMUX_FLUX_DISPERSION_FWD_HH +#define DUMUX_FLUX_DISPERSION_FWD_HH + +#include <dumux/common/properties.hh> +#include <dumux/discretization/method.hh> + +namespace Dumux { + +// declaration of primary template +template<class TypeTag, class DiscretizationMethod, ReferenceSystemFormulation referenceSystem> +class OnePDispersionFluxImplementation; + +/*! + * \ingroup Flux + * \brief Evaluates the dispersive flux + */ +template<class TypeTag, ReferenceSystemFormulation referenceSystem = ReferenceSystemFormulation::massAveraged> +using OnePDiffusiveDispersionFlux = OnePDispersionFluxImplementation<TypeTag, + typename GetPropType<TypeTag, Properties::GridGeometry>::DiscretizationMethod, + referenceSystem>; + +} // end namespace Dumux + +#endif diff --git a/dumux/material/fluidmatrixinteractions/CMakeLists.txt b/dumux/material/fluidmatrixinteractions/CMakeLists.txt index ddc38f14ff65ea3a4fca6531c6f9f4bcedd9382c..5c00e429803c3670bc0af7ff878f28d98f46b966 100644 --- a/dumux/material/fluidmatrixinteractions/CMakeLists.txt +++ b/dumux/material/fluidmatrixinteractions/CMakeLists.txt @@ -3,6 +3,7 @@ add_subdirectory(1pia) add_subdirectory(2p) add_subdirectory(3p) add_subdirectory(frictionlaws) +add_subdirectory(dispersiontensors) add_subdirectory(mp) add_subdirectory(porenetwork) diff --git a/dumux/material/fluidmatrixinteractions/dispersiontensors/CMakeLists.txt b/dumux/material/fluidmatrixinteractions/dispersiontensors/CMakeLists.txt new file mode 100644 index 0000000000000000000000000000000000000000..e04467da7e102539ca2847f67f75893f76d2d864 --- /dev/null +++ b/dumux/material/fluidmatrixinteractions/dispersiontensors/CMakeLists.txt @@ -0,0 +1,3 @@ +file(GLOB DUMUX_MATERIAL_FLUIDMATRIXINTERACTIONS_DISPERSIONTENSORS_HEADERS *.hh *.inc) +install(FILES ${DUMUX_MATERIAL_FLUIDMATRIXINTERACTIONS_DISPERSIONTENSORS_HEADERS} + DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/dumux/material/fluidmatrixinteractions/dispersiontensors) diff --git a/dumux/material/fluidmatrixinteractions/dispersiontensors/fulltensor.hh b/dumux/material/fluidmatrixinteractions/dispersiontensors/fulltensor.hh new file mode 100644 index 0000000000000000000000000000000000000000..851133c6434f2c81417ffd8a702d9ce2ffe86dce --- /dev/null +++ b/dumux/material/fluidmatrixinteractions/dispersiontensors/fulltensor.hh @@ -0,0 +1,57 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup Fluidmatrixinteractions + * \copydoc Dumux::FullDispersionTensor + */ +#ifndef DUMUX_MATERIAL_FLUIDMATRIX_DISPERSIONTENSORS_FULLTENSOR_HH +#define DUMUX_MATERIAL_FLUIDMATRIX_DISPERSIONTENSORS_FULLTENSOR_HH + +namespace Dumux { + +template<class TypeTag> +class FullDispersionTensor +{ + using Problem = GetPropType<TypeTag, Properties::Problem>; + using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; + using FVElementGeometry = typename GridGeometry::LocalView; + using SubControlVolumeFace = typename GridGeometry::SubControlVolumeFace; + using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; + + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; + static const int dimWorld = GridView::dimensionworld; + using DimWorldMatrix = Dune::FieldMatrix<Scalar, dimWorld, dimWorld>; + +public: + + template <class ElementFluxVariablesCache> + static DimWorldMatrix dispersionTensor([[maybe_unused]] const Problem& problem, + [[maybe_unused]] const SubControlVolumeFace& scvf, + [[maybe_unused]] const FVElementGeometry& fvGeometry, + [[maybe_unused]] const ElementVolumeVariables& elemVolVars, + [[maybe_unused]] const ElementFluxVariablesCache& elemFluxVarsCache) + { return problem.spatialParams().dispersionTensor(scvf.center()); } + +}; + +} // end namespace Dumux + +#endif diff --git a/dumux/material/fluidmatrixinteractions/dispersiontensors/scheidegger.hh b/dumux/material/fluidmatrixinteractions/dispersiontensors/scheidegger.hh new file mode 100644 index 0000000000000000000000000000000000000000..20773b2ca84d696b2f14f67b2bdfe05a3337772a --- /dev/null +++ b/dumux/material/fluidmatrixinteractions/dispersiontensors/scheidegger.hh @@ -0,0 +1,150 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup Fluidmatrixinteractions + * \copydoc Dumux::ScheideggersDispersionTensor + */ +#ifndef DUMUX_MATERIAL_FLUIDMATRIX_DISPERSIONTENSORS_SCHEIDEGGER_HH +#define DUMUX_MATERIAL_FLUIDMATRIX_DISPERSIONTENSORS_SCHEIDEGGER_HH + +#include <algorithm> +#include <cmath> +#include <dune/common/math.hh> + +namespace Dumux { + +namespace Detail { +template <class Problem, class SubControlVolumeFace> +using HasVelocityInSpatialParams = decltype(std::declval<Problem>().spatialParams().velocity(std::declval<SubControlVolumeFace>())); + +template<class Problem, class SubControlVolumeFace> +static constexpr bool hasVelocityInSpatialParams() +{ return Dune::Std::is_detected<HasVelocityInSpatialParams, Problem, SubControlVolumeFace>::value; } +} + +template<class TypeTag> +class ScheideggersDispersionTensor +{ + using Problem = GetPropType<TypeTag, Properties::Problem>; + using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; + using FVElementGeometry = typename GridGeometry::LocalView; + using SubControlVolumeFace = typename GridGeometry::SubControlVolumeFace; + using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; + + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; + static const int dimWorld = GridView::dimensionworld; + using DimWorldMatrix = Dune::FieldMatrix<Scalar, dimWorld, dimWorld>; + + using FluxVariables = GetPropType<TypeTag, Properties::FluxVariables>; + using FluxTraits = typename Dumux::FluxTraits<FluxVariables>; + static constexpr bool stationaryVelocityField = FluxTraits::hasStationaryVelocityField(); + +public: + template <class ElementFluxVariablesCache> + static DimWorldMatrix dispersionTensor(const Problem& problem, + const SubControlVolumeFace& scvf, + [[maybe_unused]] const FVElementGeometry& fvGeometry, + [[maybe_unused]] const ElementVolumeVariables& elemVolVars, + [[maybe_unused]] const ElementFluxVariablesCache& elemFluxVarsCache) + { + DimWorldMatrix dispersionTensor(0.0); + + // Calculate Darcy's velocity + Dune::FieldVector<Scalar, dimWorld> velocity(0.0); + if constexpr (stationaryVelocityField) + { + if constexpr (!Detail::hasVelocityInSpatialParams<Problem,SubControlVolumeFace>() ) + DUNE_THROW(Dune::NotImplemented, "\n Please provide the stationary velocity field in the spatialparams via a velocity function."); + else + velocity = problem.spatialParams().velocity(scvf); + } + else + { + if constexpr (FVElementGeometry::GridGeometry::discMethod == DiscretizationMethods::box) + { + const auto& fluxVarsCache = elemFluxVarsCache[scvf]; + const auto& shapeValues = fluxVarsCache.shapeValues(); + + // get inside and outside permeability tensors and calculate the harmonic mean + const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; + const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; + const auto K = problem.spatialParams().harmonicMean(insideVolVars.permeability(), + outsideVolVars.permeability(), + scvf.unitOuterNormal()); + + // evaluate gradP - rho*g at integration point + Dune::FieldVector<Scalar, dimWorld> gradP(0.0); + Scalar rho(0.0); + static const bool enableGravity = getParamFromGroup<bool>(problem.paramGroup(), "Problem.EnableGravity"); + for (auto&& scv : scvs(fvGeometry)) + { + const auto& volVars = elemVolVars[scv]; + + if (enableGravity) + rho += volVars.density(0)*shapeValues[scv.indexInElement()][0]; + // the global shape function gradient + gradP.axpy(volVars.pressure(0), fluxVarsCache.gradN(scv.indexInElement())); + } + + if (enableGravity) + gradP.axpy(-rho, problem.spatialParams().gravity(scvf.center())); + + velocity = gradP; + velocity *= K; + + velocity /= -0.5 * (insideVolVars.viscosity() + outsideVolVars.viscosity()); + } + else + DUNE_THROW(Dune::NotImplemented, "\n Scheidegger Dispersion for compositional models without given constant velocity field is only implemented using the Box method."); + } + + //calculate dispersion tensor + + // collect the dispersion alphas at this location + std::array<Scalar,2> dispersivity = problem.spatialParams().dispersionAlphas(scvf.center()); + + //matrix multiplication of the velocity at the interface: vv^T + for (int i=0; i < dimWorld; i++) + for (int j = 0; j < dimWorld; j++) + dispersionTensor[i][j] = velocity[i]*velocity[j]; + + //normalize velocity product --> vv^T/||v||, [m/s] + Scalar vNorm = velocity.two_norm(); + + dispersionTensor /= vNorm; + if (vNorm < 1e-20) + dispersionTensor = 0; + + //multiply with dispersivity difference: vv^T/||v||*(alphaL - alphaT), [m^2/s] --> alphaL = longitudinal disp., alphaT = transverse disp. + dispersionTensor *= (dispersivity[0] - dispersivity[1]); + + //add ||v||*alphaT to the main diagonal:vv^T/||v||*(alphaL - alphaT) + ||v||*alphaT, [m^2/s] + for (int i = 0; i < dimWorld; i++) + dispersionTensor[i][i] += vNorm*dispersivity[1]; + + return dispersionTensor; + } + +}; + +} // end namespace Dumux + +#endif diff --git a/dumux/porenetwork/1pnc/model.hh b/dumux/porenetwork/1pnc/model.hh index 7619f8c2dc1322d65332042a1cbf595d98841659..861ba64725e93ddd44001bf2fce4304b4c04ca19 100644 --- a/dumux/porenetwork/1pnc/model.hh +++ b/dumux/porenetwork/1pnc/model.hh @@ -158,17 +158,19 @@ private: static_assert(FST::numPhases == MT::numFluidPhases(), "Number of phases mismatch between model and fluid state"); using BaseTraits = Dumux::OnePVolumeVariablesTraits<PV, FSY, FST, SSY, SST, PT, MT>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; - template<class BaseTraits, class DT, class EDM> + template<class BaseTraits, class DTT, class DT, class EDM> struct NCTraits : public BaseTraits { + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; }; public: - using type = Dumux::PoreNetwork::OnePNCVolumeVariables<NCTraits<BaseTraits, DT, EDM>>; + using type = Dumux::PoreNetwork::OnePNCVolumeVariables<NCTraits<BaseTraits, DTT, DT, EDM>>; }; //!< Set the vtk output fields specific to this model @@ -189,7 +191,10 @@ struct ModelTraits<TypeTag, TTag::PNMOnePNCNI> { private: using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; - using IsothermalTraits = OnePNCModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>(), getPropValue<TypeTag, Properties::ReplaceCompEqIdx>()>; + using IsothermalTraits = OnePNCModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>(), + getPropValue<TypeTag, Properties::EnableCompositionalDispersion>(), + getPropValue<TypeTag, Properties::EnableThermalDispersion>(), + getPropValue<TypeTag, Properties::ReplaceCompEqIdx>()>; public: using type = PorousMediumFlowNIModelTraits<IsothermalTraits>; }; @@ -211,19 +216,21 @@ private: static_assert(FST::numPhases == MT::numFluidPhases(), "Number of phases mismatch between model and fluid state"); using BaseTraits = Dumux::OnePVolumeVariablesTraits<PV, FSY, FST, SSY, SST, PT, MT>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; using ETCM = GetPropType< TypeTag, Properties:: ThermalConductivityModel>; - template<class BaseTraits, class DT, class EDM, class ETCM> + template<class BaseTraits, class DTT, class DT, class EDM, class ETCM> struct NCNITraits : public BaseTraits { + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; using EffectiveThermalConductivityModel = ETCM; }; public: - using type = Dumux::PoreNetwork::OnePNCVolumeVariables<NCNITraits<BaseTraits, DT, EDM, ETCM>>; + using type = Dumux::PoreNetwork::OnePNCVolumeVariables<NCNITraits<BaseTraits, DTT, DT, EDM, ETCM>>; }; template<class TypeTag> diff --git a/dumux/porousmediumflow/1p/model.hh b/dumux/porousmediumflow/1p/model.hh index 2dcf1ccba8c42ce0ff55a4b5a9c9d268d05d00ee..f384e5d559a65be2bd5db5ccf19889b6f4e7ad3d 100644 --- a/dumux/porousmediumflow/1p/model.hh +++ b/dumux/porousmediumflow/1p/model.hh @@ -74,6 +74,7 @@ struct OnePModelTraits static constexpr bool enableAdvection() { return true; } static constexpr bool enableMolecularDiffusion() { return false; } static constexpr bool enableEnergyBalance() { return false; } + static constexpr bool enableThermalDispersion() { return false; } }; /*! diff --git a/dumux/porousmediumflow/1pnc/model.hh b/dumux/porousmediumflow/1pnc/model.hh index d35809893fe5199a57367fdeec9d21e9538c45c5..239424c87a8f58a4bdf29f5b7ed9f5e7aad3109c 100644 --- a/dumux/porousmediumflow/1pnc/model.hh +++ b/dumux/porousmediumflow/1pnc/model.hh @@ -85,7 +85,7 @@ namespace Dumux { * * \tparam nComp the number of components to be considered. */ -template<int nComp, bool useM, int repCompEqIdx = nComp> +template<int nComp, bool useM, int enableCompDisp, int enableThermDisp, int repCompEqIdx = nComp> struct OnePNCModelTraits { using Indices = OnePNCIndices; @@ -98,6 +98,8 @@ struct OnePNCModelTraits static constexpr bool useMoles() { return useM; } static constexpr bool enableAdvection() { return true; } static constexpr bool enableMolecularDiffusion() { return true; } + static constexpr bool enableCompositionalDispersion() { return enableCompDisp; } + static constexpr bool enableThermalDispersion() { return enableThermDisp; } static constexpr bool enableEnergyBalance() { return false; } }; @@ -128,8 +130,13 @@ struct BaseModelTraits<TypeTag, TTag::OnePNC> { private: using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; + public: - using type = OnePNCModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>(), getPropValue<TypeTag, Properties::ReplaceCompEqIdx>()>; + using type = OnePNCModelTraits<FluidSystem::numComponents, + getPropValue<TypeTag, Properties::UseMoles>(), + getPropValue<TypeTag, Properties::EnableCompositionalDispersion>(), + getPropValue<TypeTag, Properties::EnableThermalDispersion>(), + getPropValue<TypeTag, Properties::ReplaceCompEqIdx>()>; }; template<class TypeTag> struct ModelTraits<TypeTag, TTag::OnePNC> { using type = GetPropType<TypeTag, Properties::BaseModelTraits>; }; //!< default the actually used traits to the base traits @@ -183,17 +190,19 @@ private: static_assert(FST::numPhases == MT::numFluidPhases(), "Number of phases mismatch between model and fluid state"); using BaseTraits = OnePVolumeVariablesTraits<PV, FSY, FST, SSY, SST, PT, MT>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; - template<class BaseTraits, class DT, class EDM> + template<class BaseTraits, class DTT, class DT, class EDM> struct NCTraits : public BaseTraits { + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; }; public: - using type = OnePNCVolumeVariables<NCTraits<BaseTraits, DT, EDM>>; + using type = OnePNCVolumeVariables<NCTraits<BaseTraits, DTT, DT, EDM>>; }; //! Set the vtk output fields specific to this model @@ -240,19 +249,21 @@ private: static_assert(FST::numPhases == MT::numFluidPhases(), "Number of phases mismatch between model and fluid state"); using BaseTraits = OnePVolumeVariablesTraits<PV, FSY, FST, SSY, SST, PT, MT>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; using ETCM = GetPropType< TypeTag, Properties:: ThermalConductivityModel>; - template<class BaseTraits, class DT, class EDM, class ETCM> + template<class BaseTraits, class DTT, class DT, class EDM, class ETCM> struct NCNITraits : public BaseTraits { + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; using EffectiveThermalConductivityModel = ETCM; }; public: - using type = OnePNCVolumeVariables<NCNITraits<BaseTraits, DT, EDM, ETCM>>; + using type = OnePNCVolumeVariables<NCNITraits<BaseTraits, DTT, DT, EDM, ETCM>>; }; } // end namespace Properties @@ -310,7 +321,11 @@ struct EquilibriumModelTraits<TypeTag, TTag::OnePNCNonEquil> { private: using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; - using EquilibriumTraits = OnePNCModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>(), getPropValue<TypeTag, Properties::ReplaceCompEqIdx>()>; + using EquilibriumTraits = OnePNCModelTraits<FluidSystem::numComponents, + getPropValue<TypeTag, Properties::UseMoles>(), + getPropValue<TypeTag, Properties::EnableCompositionalDispersion>(), + getPropValue<TypeTag, Properties::EnableThermalDispersion>(), + getPropValue<TypeTag, Properties::ReplaceCompEqIdx>()>; public: using type = OnePNCUnconstrainedModelTraits<EquilibriumTraits>; }; @@ -339,20 +354,22 @@ private: using PT = typename GetPropType<TypeTag, Properties::SpatialParams>::PermeabilityType; using BaseTraits = OnePVolumeVariablesTraits<PV, FSY, FST, SSY, SST, PT, MT>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; using ETCM = GetPropType< TypeTag, Properties:: ThermalConductivityModel>; - template<class BaseTraits, class DT, class EDM, class ETCM> + template<class BaseTraits, class DTT, class DT, class EDM, class ETCM> struct NCNITraits : public BaseTraits { + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; using EffectiveThermalConductivityModel = ETCM; }; - using EquilibriumVolVars = OnePNCVolumeVariables<NCNITraits<BaseTraits, DT, EDM, ETCM>>; + using EquilibriumVolVars = OnePNCVolumeVariables<NCNITraits<BaseTraits, DTT, DT, EDM, ETCM>>; public: - using type = NonEquilibriumVolumeVariables<NCNITraits<BaseTraits, DT, EDM, ETCM>, EquilibriumVolVars>; + using type = NonEquilibriumVolumeVariables<NCNITraits<BaseTraits, DTT, DT, EDM, ETCM>, EquilibriumVolVars>; }; } // end namespace Properties diff --git a/dumux/porousmediumflow/1pnc/volumevariables.hh b/dumux/porousmediumflow/1pnc/volumevariables.hh index 58e84c9ba00799d972111150e765a3047eb09c51..ac3a4cbd7eb7ff4628151694c3ceab9b9d39b00b 100644 --- a/dumux/porousmediumflow/1pnc/volumevariables.hh +++ b/dumux/porousmediumflow/1pnc/volumevariables.hh @@ -64,6 +64,8 @@ class OnePNCVolumeVariables }; public: + //! Export the dispersion tensor law + using DispersionTensorType = typename Traits::DispersionTensorType; //! Export fluid state type using FluidState = typename Traits::FluidState; //! Export fluid system type diff --git a/dumux/porousmediumflow/1pncmin/model.hh b/dumux/porousmediumflow/1pncmin/model.hh index d0bf189ceddc30077687871a6fc0811d5cab7825..21c066bbf2797d158154b559aa583f218aac061a 100644 --- a/dumux/porousmediumflow/1pncmin/model.hh +++ b/dumux/porousmediumflow/1pncmin/model.hh @@ -115,18 +115,20 @@ private: static_assert(FST::numPhases == MT::numFluidPhases(), "Number of phases mismatch between model and fluid state"); using BaseTraits = OnePVolumeVariablesTraits<PV, FSY, FST, SSY, SST, PT, MT>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; - template<class BaseTraits, class DT, class EDM> + template<class BaseTraits, class DTT, class DT, class EDM> struct NCTraits : public BaseTraits { + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; }; - using NonMinVolVars = OnePNCVolumeVariables<NCTraits<BaseTraits, DT, EDM>>; + using NonMinVolVars = OnePNCVolumeVariables<NCTraits<BaseTraits, DTT, DT, EDM>>; public: - using type = MineralizationVolumeVariables<NCTraits<BaseTraits, DT, EDM>, NonMinVolVars>; + using type = MineralizationVolumeVariables<NCTraits<BaseTraits, DTT, DT, EDM>, NonMinVolVars>; }; // Use the mineralization local residual @@ -201,19 +203,21 @@ private: static_assert(FST::numPhases == MT::numFluidPhases(), "Number of phases mismatch between model and fluid state"); using BaseTraits = OnePVolumeVariablesTraits<PV, FSY, FST, SSY, SST, PT, MT>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; using ETCM = GetPropType< TypeTag, Properties:: ThermalConductivityModel>; - template<class BaseTraits, class DT, class EDM, class ETCM> + template<class BaseTraits, class DTT, class DT, class EDM, class ETCM> struct NCNITraits : public BaseTraits { + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; using EffectiveThermalConductivityModel = ETCM; }; - using NonMinVolVars = OnePNCVolumeVariables<NCNITraits<BaseTraits, DT, EDM, ETCM>>; + using NonMinVolVars = OnePNCVolumeVariables<NCNITraits<BaseTraits, DTT, DT, EDM, ETCM>>; public: - using type = MineralizationVolumeVariables<NCNITraits<BaseTraits, DT, EDM, ETCM>, NonMinVolVars>; + using type = MineralizationVolumeVariables<NCNITraits<BaseTraits, DTT, DT, EDM, ETCM>, NonMinVolVars>; }; //! Use the average for effective conductivities template<class TypeTag> diff --git a/dumux/porousmediumflow/2pnc/model.hh b/dumux/porousmediumflow/2pnc/model.hh index ea496490a7f175d7689ea4520bab039907db7175..e3a67bef8e91d7de04e3bb162790f87c05b6f6e8 100644 --- a/dumux/porousmediumflow/2pnc/model.hh +++ b/dumux/porousmediumflow/2pnc/model.hh @@ -130,6 +130,8 @@ struct TwoPNCModelTraits static constexpr bool enableEnergyBalance() { return false; } static constexpr bool enableThermalNonEquilibrium() { return false; } static constexpr bool enableChemicalNonEquilibrium() { return false; } + static constexpr bool enableCompositionalDispersion() { return false; } + static constexpr bool enableThermalDispersion() { return false; } static constexpr bool useMoles() { return useMol; } static constexpr bool setMoleFractionsForFirstPhase() { return setMoleFractionForFP; } diff --git a/dumux/porousmediumflow/compositional/localresidual.hh b/dumux/porousmediumflow/compositional/localresidual.hh index f5cb7a2c20a2817cfa12bf7ae33625bd9189e92e..fefff8ed512c8ad5cc3cb2610481b323adc582d1 100644 --- a/dumux/porousmediumflow/compositional/localresidual.hh +++ b/dumux/porousmediumflow/compositional/localresidual.hh @@ -28,6 +28,7 @@ #include <vector> #include <dune/common/exceptions.hh> +#include <dumux/common/deprecated.hh> #include <dumux/common/properties.hh> #include <dumux/common/numeqvector.hh> #include <dumux/flux/referencesystemformulation.hh> @@ -211,10 +212,30 @@ public: //! Add advective phase energy fluxes. For isothermal model the contribution is zero. EnergyLocalResidual::heatConvectionFlux(flux, fluxVars, phaseIdx); + + if constexpr (Deprecated::hasEnableCompositionalDispersion<ModelTraits>()) + { + if constexpr (ModelTraits::enableCompositionalDispersion()) + { + if constexpr (FVElementGeometry::GridGeometry::discMethod == DiscretizationMethods::box && numPhases == 1) + { + const auto dispersionFluxes = fluxVars.compositionalDispersionFlux(phaseIdx); + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + { + flux[compIdx] += dispersionFluxes[compIdx]; + } + } + else + DUNE_THROW(Dune::NotImplemented, "Dispersion Fluxes are only implemented for single phase flows using the Box method."); + } + } + else + enableCompositionalDispersionMissing_<ModelTraits>(); } - //! Add diffusive energy fluxes. For isothermal model the contribution is zero. + //! Add diffusive and dispersive energy fluxes. For isothermal model the contribution is zero. EnergyLocalResidual::heatConductionFlux(flux, fluxVars); + EnergyLocalResidual::heatDispersionFlux(flux, fluxVars); return flux; } @@ -225,6 +246,11 @@ protected: const Implementation *asImp_() const { return static_cast<const Implementation *> (this); } + + template <class T = ModelTraits> + [[deprecated("All compositional models must specifiy if dispersion is enabled." + "Please add enableCompositionalDispersion to the ModelTraits in your model header.")]] + void enableCompositionalDispersionMissing_() const {} }; } // end namespace Dumux diff --git a/dumux/porousmediumflow/fluxvariables.hh b/dumux/porousmediumflow/fluxvariables.hh index 3a3478f3138e39948cb1886702ab77332ffc8c2c..d5e40cd33de018b581aa883ef8bdeadf7ca50289 100644 --- a/dumux/porousmediumflow/fluxvariables.hh +++ b/dumux/porousmediumflow/fluxvariables.hh @@ -63,11 +63,14 @@ class PorousMediumFluxVariables public: using UpwindScheme = UpScheme; using AdvectionType = GetPropType<TypeTag, Properties::AdvectionType>; + using DispersionFluxType = GetPropType<TypeTag, Properties::DispersionFluxType>; using MolecularDiffusionType = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using HeatConductionType = GetPropType<TypeTag, Properties::HeatConductionType>; static constexpr bool enableAdvection = ModelTraits::enableAdvection(); static constexpr bool enableMolecularDiffusion = ModelTraits::enableMolecularDiffusion(); + static constexpr bool enableCompositionalDispersion = ModelTraits::enableCompositionalDispersion(); + static constexpr bool enableThermalDispersion = ModelTraits::enableThermalDispersion(); static constexpr bool enableEnergyBalance = ModelTraits::enableEnergyBalance(); static constexpr bool enableThermalNonEquilibrium = getPropValue<TypeTag, Properties::EnableThermalNonEquilibrium>(); @@ -123,6 +126,40 @@ public: return Dune::FieldVector<Scalar, numComponents>(0.0); } + /*! + * \brief Returns the compositional dispersion flux computed by the respective law. + */ + Dune::FieldVector<Scalar, numComponents> compositionalDispersionFlux([[maybe_unused]] const int phaseIdx) const + { + if constexpr (enableCompositionalDispersion) + return DispersionFluxType::compositionalDispersionFlux(this->problem(), + this->element(), + this->fvGeometry(), + this->elemVolVars(), + this->scvFace(), + phaseIdx, + this->elemFluxVarsCache()); + else + return Dune::FieldVector<Scalar, numComponents>(0.0); + } + + /*! + * \brief Returns the thermal dispersion flux computed by the respective law. + */ + Dune::FieldVector<Scalar, 1> thermalDispersionFlux([[maybe_unused]] const int phaseIdx = 0) const + { + if constexpr (enableThermalDispersion) + return DispersionFluxType::thermalDispersionFlux(this->problem(), + this->element(), + this->fvGeometry(), + this->elemVolVars(), + this->scvFace(), + phaseIdx, + this->elemFluxVarsCache()); + else + return Dune::FieldVector<Scalar, 1>(0.0); + } + /*! * \brief Returns the conductive flux computed by the respective law. * \note This overload is used in models considering local thermal equilibrium diff --git a/dumux/porousmediumflow/mpnc/model.hh b/dumux/porousmediumflow/mpnc/model.hh index 32355e62f159224e5762365eb9bec52a647c9103..df29f1498ee0bd9b123d31764792d93ffd58c23c 100644 --- a/dumux/porousmediumflow/mpnc/model.hh +++ b/dumux/porousmediumflow/mpnc/model.hh @@ -145,6 +145,8 @@ struct MPNCModelTraits static constexpr bool enableEnergyBalance() { return false; } static constexpr bool enableThermalNonEquilibrium() { return false; } static constexpr bool enableChemicalNonEquilibrium() { return false; } + static constexpr bool enableCompositionalDispersion() { return false; } + static constexpr bool enableThermalDispersion() { return false; } static constexpr MpNcPressureFormulation pressureFormulation() { return formulation; } diff --git a/dumux/porousmediumflow/nonequilibrium/model.hh b/dumux/porousmediumflow/nonequilibrium/model.hh index 30301c92ce73e46b0f2bdeb2446d91d211b51670..9698e89e16c5027cb8dc05d384417d747c1b6e27 100644 --- a/dumux/porousmediumflow/nonequilibrium/model.hh +++ b/dumux/porousmediumflow/nonequilibrium/model.hh @@ -62,6 +62,8 @@ struct NonEquilibriumModelTraits : public ET static constexpr int numEnergyEqSolid() { return therm ? numES : 0; } static constexpr int numEnergyEq() { return numEnergyEqFluid()+numEnergyEqSolid(); } + static constexpr bool enableCompositionalDispersion() { return false; } + static constexpr bool enableThermalDispersion() { return false; } static constexpr bool enableEnergyBalance() { return ET::enableEnergyBalance() || therm; } static constexpr bool enableThermalNonEquilibrium() { return therm; } static constexpr bool enableChemicalNonEquilibrium() { return chem; } diff --git a/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh b/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh index 63180863a97cba6bc1eadaf01c686aaa0883ccd9..173b9ef28cc7f6412ad3bd8cb9ed3374fff2836c 100644 --- a/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh +++ b/dumux/porousmediumflow/nonequilibrium/thermal/localresidual.hh @@ -100,6 +100,15 @@ public: } } + /*! + * \brief The dispersive energy fluxes + * + * \param flux The flux + * \param fluxVars The flux variables. + */ + static void heatDispersionFlux(NumEqVector& flux, + FluxVariables& fluxVars) + {} //! The advective phase energy fluxes static void heatConvectionFlux(NumEqVector& flux, @@ -299,6 +308,17 @@ public: flux[energyEqSolidIdx+sPhaseIdx] += fluxVars.heatConductionFlux(numPhases + sPhaseIdx); } } + + /*! + * \brief The dispersive energy fluxes + * + * \param flux The flux + * \param fluxVars The flux variables. + */ + static void heatDispersionFlux(NumEqVector& flux, + FluxVariables& fluxVars) + {} + /*! * \brief Calculates the source term of the equation. * diff --git a/dumux/porousmediumflow/nonisothermal/localresidual.hh b/dumux/porousmediumflow/nonisothermal/localresidual.hh index e0490095824b3992e222d22d9950fed5d98e2201..309212a805e0a550a1638dafa56cdf556571e10f 100644 --- a/dumux/porousmediumflow/nonisothermal/localresidual.hh +++ b/dumux/porousmediumflow/nonisothermal/localresidual.hh @@ -28,6 +28,7 @@ #include <dumux/common/properties.hh> #include <dumux/common/numeqvector.hh> +#include <dumux/common/deprecated.hh> namespace Dumux { @@ -100,6 +101,16 @@ public: static void heatConductionFlux(NumEqVector& flux, FluxVariables& fluxVars) {} + + /*! + * \brief The dispersive energy fluxes + * + * \param flux The flux + * \param fluxVars The flux variables. + */ + static void heatDispersionFlux(NumEqVector& flux, + FluxVariables& fluxVars) + {} }; /*! @@ -118,8 +129,10 @@ class EnergyLocalResidualImplementation<TypeTag, true> using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; using Element = typename GridView::template Codim<0>::Entity; using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; - using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices; + using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; + using Indices = typename ModelTraits::Indices; + static constexpr int numPhases = ModelTraits::numFluidPhases(); enum { energyEqIdx = Indices::energyEqIdx }; public: @@ -189,6 +202,27 @@ public: flux[energyEqIdx] += fluxVars.heatConductionFlux(); } + /*! + * \brief The dispersive energy fluxes + * + * \param flux The flux + * \param fluxVars The flux variables. + */ + static void heatDispersionFlux(NumEqVector& flux, + FluxVariables& fluxVars) + { + if constexpr (Deprecated::hasEnableThermalDispersion<ModelTraits>()) + { + if constexpr (ModelTraits::enableThermalDispersion()) + { + flux[energyEqIdx] += fluxVars.thermalDispersionFlux(); + } + } + else + enableThermalDispersionMissing_<ModelTraits>(); + } + + /*! * \brief heat transfer between the phases for nonequilibrium models * @@ -204,6 +238,14 @@ public: const ElementVolumeVariables& elemVolVars, const SubControlVolume &scv) {} + +private: + + template <class T = ModelTraits> + [[deprecated("All non-isothermal models must specifiy if thermal dispersion is enabled." + "Please add enableThermalDispersion to the ModelTraits in your model header.")]] + static void enableThermalDispersionMissing_() {} + }; } // end namespace Dumux diff --git a/dumux/porousmediumflow/properties.hh b/dumux/porousmediumflow/properties.hh index 3b5a58ba99c915f536a49bdb8df44362dd79771a..a357494bbeb77fc33142fb16fb13f4fe5d158e0d 100644 --- a/dumux/porousmediumflow/properties.hh +++ b/dumux/porousmediumflow/properties.hh @@ -38,10 +38,12 @@ #include <dumux/flux/darcyslaw.hh> #include <dumux/flux/fickslaw.hh> #include <dumux/flux/fourierslaw.hh> +#include <dumux/flux/dispersionflux.hh> #include <dumux/material/solidstates/inertsolidstate.hh> #include <dumux/material/solidsystems/1csolid.hh> #include <dumux/material/components/constant.hh> +#include <dumux/material/fluidmatrixinteractions/dispersiontensors/scheidegger.hh> namespace Dumux { namespace Properties { @@ -73,6 +75,22 @@ struct AdvectionType<TypeTag, TTag::PorousMediumFlow> { using type = DarcysLaw<T template<class TypeTag> struct MolecularDiffusionType<TypeTag, TTag::PorousMediumFlow> { using type = FicksLaw<TypeTag>; }; +//! Per default, we do not include compositional dispersion effects +template<class TypeTag> +struct EnableCompositionalDispersion<TypeTag, TTag::PorousMediumFlow> { static constexpr bool value = false; }; + +//! Per default, we do not include thermal dispersion effects +template<class TypeTag> +struct EnableThermalDispersion<TypeTag, TTag::PorousMediumFlow> { static constexpr bool value = false; }; + +//! By default, we use a diffusive flux for the dispersive fluxes +template<class TypeTag> +struct DispersionFluxType<TypeTag, TTag::PorousMediumFlow> { using type = OnePDiffusiveDispersionFlux<TypeTag>; }; + +//! By default, we use Scheideggers's law for the dispersive tensor calculation +template<class TypeTag> +struct DispersionTensorType<TypeTag, TTag::PorousMediumFlow> { using type = ScheideggersDispersionTensor<TypeTag>; }; + //! By default, we use fourier's law as the default for heat conduction fluxes template<class TypeTag> struct HeatConductionType<TypeTag, TTag::PorousMediumFlow> { using type = FouriersLaw<TypeTag>; }; diff --git a/dumux/porousmediumflow/richardsnc/model.hh b/dumux/porousmediumflow/richardsnc/model.hh index 6efeba9af99867a982e0017160f21ee82e7d82d8..0d2ad0cf2d964fac5d70c7ec9916b2769245d1a2 100644 --- a/dumux/porousmediumflow/richardsnc/model.hh +++ b/dumux/porousmediumflow/richardsnc/model.hh @@ -110,6 +110,8 @@ struct RichardsNCModelTraits static constexpr bool enableAdvection() { return true; } static constexpr bool enableMolecularDiffusion() { return true; } static constexpr bool enableEnergyBalance() { return false; } + static constexpr bool enableCompositionalDispersion() { return false; } + static constexpr bool enableThermalDispersion() { return false; } static constexpr bool useMoles() { return useMol; } }; diff --git a/dumux/porousmediumflow/tracer/localresidual.hh b/dumux/porousmediumflow/tracer/localresidual.hh index dd4d416378b5e0daec4ca0a909c2c427e3b20ed9..289c3a6b4858d6a792e050720d786e56a5f12c89 100644 --- a/dumux/porousmediumflow/tracer/localresidual.hh +++ b/dumux/porousmediumflow/tracer/localresidual.hh @@ -31,6 +31,7 @@ #include <dumux/common/properties.hh> #include <dumux/common/parameters.hh> #include <dumux/common/numeqvector.hh> +#include <dumux/common/deprecated.hh> #include <dumux/discretization/method.hh> #include <dumux/discretization/extrusion.hh> #include <dumux/flux/referencesystemformulation.hh> @@ -61,8 +62,9 @@ class TracerLocalResidual: public GetPropType<TypeTag, Properties::BaseLocalResi using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>; using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; + using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; - static constexpr int numComponents = GetPropType<TypeTag, Properties::ModelTraits>::numFluidComponents(); + static constexpr int numComponents = ModelTraits::numFluidComponents(); static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>(); static constexpr int phaseIdx = 0; @@ -139,8 +141,8 @@ public: const auto diffusiveFluxes = fluxVars.molecularDiffusionFlux(phaseIdx); static constexpr auto referenceSystemFormulation = FluxVariables::MolecularDiffusionType::referenceSystemFormulation(); - // formulation with mole balances - if (useMoles) + + if (useMoles) // formulation with mole balances { for (int compIdx = 0; compIdx < numComponents; ++compIdx) { @@ -159,8 +161,7 @@ public: DUNE_THROW(Dune::NotImplemented, "other reference systems than mass and molar averaged are not implemented"); } } - // formulation with mass balances - else + else // formulation with mass balances { for (int compIdx = 0; compIdx < numComponents; ++compIdx) { @@ -180,6 +181,20 @@ public: } } + if constexpr (Deprecated::hasEnableCompositionalDispersion<ModelTraits>()) + { + if constexpr (ModelTraits::enableCompositionalDispersion()) + { + const auto dispersionFluxes = fluxVars.compositionalDispersionFlux(phaseIdx); + for (int compIdx = 0; compIdx < numComponents; ++compIdx) + { + flux[compIdx] += dispersionFluxes[compIdx]; + } + } + } + else + enableCompositionalDispersionMissing_<ModelTraits>(); + return flux; } @@ -391,6 +406,12 @@ public: { // TODO maybe forward to the problem? } + +private: + template <class T = ModelTraits> + [[deprecated("All compositional models must specifiy if dispersion is enabled." + "Please add enableCompositionalDispersion to the ModelTraits in your model header.")]] + void enableCompositionalDispersionMissing_() const {} }; } // end namespace Dumux diff --git a/dumux/porousmediumflow/tracer/model.hh b/dumux/porousmediumflow/tracer/model.hh index eca77da3e9abc7f33886a32b8c02a8bffe654cae..9117e1bb5e54c04463fa59a086d9de06a0407abb 100644 --- a/dumux/porousmediumflow/tracer/model.hh +++ b/dumux/porousmediumflow/tracer/model.hh @@ -70,7 +70,7 @@ namespace Dumux { * \tparam nComp the number of components to be considered. * \tparam useMol whether mole or mass balances are used */ -template<int nComp, bool useMol> +template<int nComp, bool useMol, bool enableCompDisp> struct TracerModelTraits { using Indices = TracerIndices; @@ -82,6 +82,7 @@ struct TracerModelTraits static constexpr bool enableAdvection() { return true; } static constexpr bool enableMolecularDiffusion() { return true; } static constexpr bool enableEnergyBalance() { return false; } + static constexpr bool enableCompositionalDispersion() { return enableCompDisp; } static constexpr bool useMoles() { return useMol; } }; @@ -94,7 +95,7 @@ struct TracerModelTraits * \tparam FSY The fluid system type * \tparam MT The model traits */ -template<class PV, class FSY, class SSY, class SST, class MT, class DT, class EDM> +template<class PV, class FSY, class SSY, class SST, class MT, class DTT, class DT, class EDM> struct TracerVolumeVariablesTraits { using PrimaryVariables = PV; @@ -102,6 +103,7 @@ struct TracerVolumeVariablesTraits using SolidSystem = SSY; using SolidState = SST; using ModelTraits = MT; + using DispersionTensorType = DTT; using DiffusionType = DT; using EffectiveDiffusivityModel = EDM; }; @@ -134,7 +136,9 @@ struct ModelTraits<TypeTag, TTag::Tracer> private: using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; public: - using type = TracerModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>()>; + using type = TracerModelTraits<FluidSystem::numComponents, + getPropValue<TypeTag, Properties::UseMoles>(), + getPropValue<TypeTag, Properties::EnableCompositionalDispersion>()>; }; //! Use the tracer local residual function for the tracer model @@ -155,10 +159,11 @@ private: using SSY = GetPropType<TypeTag, Properties::SolidSystem>; using SST = GetPropType<TypeTag, Properties::SolidState>; using MT = GetPropType<TypeTag, Properties::ModelTraits>; + using DTT = GetPropType<TypeTag, Properties::DispersionTensorType>; using DT = GetPropType<TypeTag, Properties::MolecularDiffusionType>; using EDM = GetPropType<TypeTag, Properties::EffectiveDiffusivityModel>; - using Traits = TracerVolumeVariablesTraits<PV, FSY, SSY, SST, MT, DT, EDM>; + using Traits = TracerVolumeVariablesTraits<PV, FSY, SSY, SST, MT, DTT, DT, EDM>; public: using type = TracerVolumeVariables<Traits>; }; diff --git a/dumux/porousmediumflow/tracer/volumevariables.hh b/dumux/porousmediumflow/tracer/volumevariables.hh index d70333917b333796042a149099662c23739a78b9..11958636579aca4dafa32171016522c00cf45b80 100644 --- a/dumux/porousmediumflow/tracer/volumevariables.hh +++ b/dumux/porousmediumflow/tracer/volumevariables.hh @@ -63,6 +63,8 @@ class TracerVolumeVariables static constexpr int numFluidComps = ParentType::numFluidComponents(); public: + //! Export the dispersion tensor law + using DispersionTensorType = typename Traits::DispersionTensorType; //! Export the fluid system type using FluidSystem = typename Traits::FluidSystem; //! Export the solid state type diff --git a/test/multidomain/facet/tracer_tracer/properties.hh b/test/multidomain/facet/tracer_tracer/properties.hh index 494ba46ca5d21c02549e7185fbb3bdf22772c576..98d29d818bea93fdd37c8c243eeaf4dd42c9bbc6 100644 --- a/test/multidomain/facet/tracer_tracer/properties.hh +++ b/test/multidomain/facet/tracer_tracer/properties.hh @@ -157,6 +157,10 @@ struct SpatialParams<TypeTag, TTag::TracerTestBulk> template<class TypeTag> struct UseMoles<TypeTag, TTag::TracerTestBulk> { static constexpr bool value = false; }; +// Define whether mole(true) or mass (false) fractions are used +template<class TypeTag> +struct EnableCompositionalDispersion<TypeTag, TTag::TracerTestBulk> { static constexpr bool value = false; }; + //! set the model traits (with disabled diffusion) template<class TypeTag> struct ModelTraits<TypeTag, TTag::TracerTestBulk> @@ -164,7 +168,8 @@ struct ModelTraits<TypeTag, TTag::TracerTestBulk> private: using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; public: - using type = TracerTestModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>()>; + using type = TracerTestModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>(), + getPropValue<TypeTag, Properties::EnableCompositionalDispersion>()>; }; // use the test-specific fluid system @@ -202,6 +207,10 @@ struct SpatialParams<TypeTag, TTag::TracerTestLowDim> template<class TypeTag> struct UseMoles<TypeTag, TTag::TracerTestLowDim> { static constexpr bool value = false; }; +// Define whether mole(true) or mass (false) fractions are used +template<class TypeTag> +struct EnableCompositionalDispersion<TypeTag, TTag::TracerTestLowDim> { static constexpr bool value = false; }; + //! set the model traits (with disabled diffusion) template<class TypeTag> struct ModelTraits<TypeTag, TTag::TracerTestLowDim> @@ -209,14 +218,14 @@ struct ModelTraits<TypeTag, TTag::TracerTestLowDim> private: using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; public: - using type = TracerTestModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>()>; + using type = TracerTestModelTraits<FluidSystem::numComponents, getPropValue<TypeTag, Properties::UseMoles>(), + getPropValue<TypeTag, Properties::EnableCompositionalDispersion>()>; }; // use the test-specific fluid system template<class TypeTag> struct FluidSystem<TypeTag, TTag::TracerTestLowDim> { using type = TracerFluidSystem<TypeTag>; }; - template< class BulkTypeTag, class LowDimTypeTag > class TestTraits { diff --git a/test/multidomain/facet/tracer_tracer/tracermodeltraits.hh b/test/multidomain/facet/tracer_tracer/tracermodeltraits.hh index a31295c2ec79dd03775b37eec0c63cb8ac48e663..a6f59b10cee10a154c92db4cc6f5ef473c51f092 100644 --- a/test/multidomain/facet/tracer_tracer/tracermodeltraits.hh +++ b/test/multidomain/facet/tracer_tracer/tracermodeltraits.hh @@ -30,10 +30,11 @@ namespace Dumux { //! Custom model traits disabling diffusion -template<int nComp, bool useMol> -struct TracerTestModelTraits : public TracerModelTraits<nComp, useMol> +template<int nComp, bool useMol, bool enableCompDisp> +struct TracerTestModelTraits : public TracerModelTraits<nComp, useMol, enableCompDisp> { static constexpr bool enableMolecularDiffusion() { return false; } + static constexpr bool enableCompositionalDispersion() { return enableCompDisp; } }; } // end namespace Dumux diff --git a/test/porousmediumflow/1pnc/CMakeLists.txt b/test/porousmediumflow/1pnc/CMakeLists.txt index 5f6c0659d67f7fe39d21c2e12941acb66028bd87..ef9dea68b035a1fb0793c843e77153b1a068aa10 100644 --- a/test/porousmediumflow/1pnc/CMakeLists.txt +++ b/test/porousmediumflow/1pnc/CMakeLists.txt @@ -1,3 +1,4 @@ add_subdirectory(1p2c) add_subdirectory(nonequilibrium) add_subdirectory(1p3c) +add_subdirectory(dispersion) diff --git a/test/porousmediumflow/1pnc/dispersion/CMakeLists.txt b/test/porousmediumflow/1pnc/dispersion/CMakeLists.txt new file mode 100644 index 0000000000000000000000000000000000000000..5da70223cc38fb481c041b7e29542959fde18611 --- /dev/null +++ b/test/porousmediumflow/1pnc/dispersion/CMakeLists.txt @@ -0,0 +1,75 @@ +add_input_file_links() + +dumux_add_test(NAME test_1pnc_dispersion_scheidegger + LABELS porousmediumflow dispersion 1pnc + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=OnePNCDispersionTestBox SCHEIDEGGER=1 + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pnc_dispersion_scheidegger-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_dispersion_scheidegger-00024.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_dispersion_scheidegger params.input + -Problem.Name test_1pnc_dispersion_scheidegger + -Problem.AlphaL 0.1 + -Problem.AlphaT 0.01") + +dumux_add_test(NAME test_1pnc_dispersion_fulldispersiontensor_isotropic + LABELS porousmediumflow dispersion 1pnc + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=OnePNCDispersionTestBox SCHEIDEGGER=0 + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pnc_dispersion_fulldispersiontensor_isotropic-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_dispersion_fulldispersiontensor_isotropic-00025.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_dispersion_fulldispersiontensor_isotropic params.input + -Problem.Name test_1pnc_dispersion_fulldispersiontensor_isotropic + -Problem.DispersionTensor 1e-6") + +dumux_add_test(NAME test_1pnc_dispersion_fulldispersiontensor_anisotropic + LABELS porousmediumflow dispersion 1pnc + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=OnePNCDispersionTestBox SCHEIDEGGER=0 + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pnc_dispersion_fulldispersiontensor_anisotropic-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_dispersion_fulldispersiontensor_anisotropic-00025.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pnc_dispersion_fulldispersiontensor_anisotropic params.input + -Problem.Name test_1pnc_dispersion_fulldispersiontensor_anisotropic + -Problem.DispersionTensor '1e-6 5e-8 6e-9 5e-6'") + +dumux_add_test(NAME test_1pncni_dispersion_scheidegger + LABELS porousmediumflow dispersion 1pncni + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=OnePNCNIDispersionTestBox SCHEIDEGGER=1 NONISOTHERMAL=1 + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pncni_dispersion_scheidegger-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pncni_dispersion_scheidegger-00026.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pncni_dispersion_scheidegger params.input + -Problem.Name test_1pncni_dispersion_scheidegger + -Problem.AlphaL 0.1 + -Problem.AlphaT 0.01") + +dumux_add_test(NAME test_1pncni_dispersion_fulldispersiontensor_isotropic + LABELS porousmediumflow dispersion 1pncni + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=OnePNCNIDispersionTestBox SCHEIDEGGER=0 NONISOTHERMAL=1 + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pncni_dispersion_fulldispersiontensor_isotropic-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pncni_dispersion_fulldispersiontensor_isotropic-00026.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pncni_dispersion_fulldispersiontensor_isotropic params.input + -Problem.Name test_1pncni_dispersion_fulldispersiontensor_isotropic + -Problem.DispersionTensor 1e-6") + +dumux_add_test(NAME test_1pncni_dispersion_fulldispersiontensor_anisotropic + LABELS porousmediumflow dispersion 1pncni + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=OnePNCNIDispersionTestBox SCHEIDEGGER=0 NONISOTHERMAL=1 + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_1pncni_dispersion_fulldispersiontensor_anisotropic-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_1pncni_dispersion_fulldispersiontensor_anisotropic-00026.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_1pncni_dispersion_fulldispersiontensor_anisotropic params.input + -Problem.Name test_1pncni_dispersion_fulldispersiontensor_anisotropic + -Problem.DispersionTensor '1e-6 5e-8 6e-9 5e-6'") diff --git a/test/porousmediumflow/1pnc/dispersion/main.cc b/test/porousmediumflow/1pnc/dispersion/main.cc new file mode 100644 index 0000000000000000000000000000000000000000..ba323a42c18ece9148afd86d93798b331f64aa1a --- /dev/null +++ b/test/porousmediumflow/1pnc/dispersion/main.cc @@ -0,0 +1,163 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup OnePNCTests + * \brief Test for the 1pnc model + */ + +#include <config.h> + +#include <iostream> + +#include <dune/common/parallel/mpihelper.hh> +#include <dune/common/timer.hh> + + +#include <dumux/common/properties.hh> +#include <dumux/common/parameters.hh> +#include <dumux/common/dumuxmessage.hh> + +#include <dumux/linear/seqsolverbackend.hh> +#include <dumux/nonlinear/newtonsolver.hh> + +#include <dumux/assembly/fvassembler.hh> + +#include <dumux/io/vtkoutputmodule.hh> +#include <dumux/io/grid/gridmanager_yasp.hh> +#include <dumux/io/grid/gridmanager_ug.hh> + +#include "properties.hh" + +int main(int argc, char** argv) +{ + using namespace Dumux; + + // define the type tag for this problem + using TypeTag = Properties::TTag::TYPETAG; + + //////////////////////////////////////////////////////////// + //////////////////////////////////////////////////////////// + + // initialize MPI, finalize is done automatically on exit + const auto& mpiHelper = Dune::MPIHelper::instance(argc, argv); + + // print dumux start message + if (mpiHelper.rank() == 0) + DumuxMessage::print(/*firstCall=*/true); + + // initialize parameter tree + Parameters::init(argc, argv); + + ////////////////////////////////////////////////////////////////////// + // try to create a grid (from the given grid file or the input file) + ///////////////////////////////////////////////////////////////////// + + GridManager<GetPropType<TypeTag, Properties::Grid>> gridManager; + gridManager.init(); + + //////////////////////////////////////////////////////////// + // run instationary non-linear problem on this grid + //////////////////////////////////////////////////////////// + + // we compute on the leaf grid view + const auto& leafGridView = gridManager.grid().leafGridView(); + + // create the finite volume grid geometry + using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; + auto gridGeometry = std::make_shared<GridGeometry>(leafGridView); + + // the problem (initial and boundary conditions) + using Problem = GetPropType<TypeTag, Properties::Problem>; + auto problem = std::make_shared<Problem>(gridGeometry); + + // the solution vector + using SolutionVector = GetPropType<TypeTag, Properties::SolutionVector>; + SolutionVector x(gridGeometry->numDofs()); + problem->applyInitialSolution(x); + auto xOld = x; + + // the grid variables + using GridVariables = GetPropType<TypeTag, Properties::GridVariables>; + auto gridVariables = std::make_shared<GridVariables>(problem, gridGeometry); + gridVariables->init(x); + + // get some time loop parameters + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + auto tEnd = getParam<Scalar>("TimeLoop.TEnd"); + auto dt = getParam<Scalar>("TimeLoop.DtInitial"); + + // intialize the vtk output module + VtkOutputModule<GridVariables, SolutionVector> vtkWriter(*gridVariables, x, problem->name()); + using VelocityOutput = GetPropType<TypeTag, Properties::VelocityOutput>; + vtkWriter.addVelocityOutput(std::make_shared<VelocityOutput>(*gridVariables)); + using IOFields = GetPropType<TypeTag, Properties::IOFields>; + IOFields::initOutputModule(vtkWriter); // Add model specific output fields + vtkWriter.write(0.0); + + // instantiate time loop + auto timeLoop = std::make_shared<TimeLoop<Scalar>>(0.0, dt, tEnd); + + // the assembler with time loop for instationary problem + using Assembler = FVAssembler<TypeTag, DiffMethod::numeric>; + auto assembler = std::make_shared<Assembler>(problem, gridGeometry, gridVariables, timeLoop, xOld); + + // the linear solver + using LinearSolver = ILU0BiCGSTABBackend; + auto linearSolver = std::make_shared<LinearSolver>(); + + // the non-linear solver + NewtonSolver<Assembler, LinearSolver> nonLinearSolver(assembler, linearSolver); + + // time loop + timeLoop->start(); do + { + // solve the non-linear system with time step control + nonLinearSolver.solve(x, *timeLoop); + + // make the new solution the old solution + xOld = x; + gridVariables->advanceTimeStep(); + + // advance to the time loop to the next step + timeLoop->advanceTimeStep(); + + // write vtk output + vtkWriter.write(timeLoop->time()); + + // report statistics of this time step + timeLoop->reportTimeStep(); + + // set new dt as suggested by the newton solver + timeLoop->setTimeStepSize(nonLinearSolver.suggestTimeStepSize(timeLoop->timeStepSize())); + + } while (!timeLoop->finished()); + + timeLoop->finalize(leafGridView.comm()); + + //////////////////////////////////////////////////////////// + // finalize, print dumux message to say goodbye + //////////////////////////////////////////////////////////// + + // print dumux end message + if (mpiHelper.rank() == 0) + DumuxMessage::print(/*firstCall=*/false); + + return 0; +} diff --git a/test/porousmediumflow/1pnc/dispersion/params.input b/test/porousmediumflow/1pnc/dispersion/params.input new file mode 100644 index 0000000000000000000000000000000000000000..3bb32efd41d9a7afe200b7b51282233a6e6a825c --- /dev/null +++ b/test/porousmediumflow/1pnc/dispersion/params.input @@ -0,0 +1,30 @@ +[TimeLoop] +DtInitial = 5 # [s] +TEnd = 1e6# [s] + +[Grid] +LowerLeft = 0 0 +UpperRight = 1 1 +Cells = 20 20 + +[Problem] +Name = default +EnableGravity = true +BoundaryConcentration = 0.04 # molfrac +BoundaryTemperatureDifference = 3 # K +CounterFlowRate = 1e-4 +Pressure = 1e5 +AlphaL = 0.1 # longitual dispersivity +AlphaT = 0.01 # transversal dispersivity +DispersionTensor = 1e-7 + +[Newton] +UseLineSearch = true + +[Vtk] +AddVelocity = 1 # enable velocity output + +[Component] +SolidDensity = 2700 +SolidThermalConductivity = 2.8 +SolidHeatCapacity = 790 diff --git a/test/porousmediumflow/1pnc/dispersion/problem.hh b/test/porousmediumflow/1pnc/dispersion/problem.hh new file mode 100644 index 0000000000000000000000000000000000000000..5de2f0b761d79f12e4d11248fbff50d01bad8508 --- /dev/null +++ b/test/porousmediumflow/1pnc/dispersion/problem.hh @@ -0,0 +1,271 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/** + * \file + * \ingroup OnePNCTests + * \brief Definition of a problem for the 1pnc problem: + * Component transport of nitrogen dissolved in the water phase. + */ + +#ifndef DUMUX_1P2C_TEST_PROBLEM_HH +#define DUMUX_1P2C_TEST_PROBLEM_HH + +#include <dumux/common/properties.hh> +#include <dumux/common/parameters.hh> + +#include <dumux/common/boundarytypes.hh> +#include <dumux/common/numeqvector.hh> +#include <dumux/porousmediumflow/problem.hh> + + +namespace Dumux { + +/*! + * \ingroup OnePNCTests + * \brief Definition of a problem for the 1pnc problem: + * Component transport of nitrogen dissolved in the water phase. + * + * Nitrogen is dissolved in the water phase and is transported with the + * water flow from the left side to the right. + * + * The model domain is 1m times 1m with a discretization length of 0.05m + * and homogeneous soil properties (\f$ \mathrm{K=10e-10, \Phi=0.4, \tau=0.28}\f$). + * Initially, the domain is filled with pure water. + * + * At the left side, a Dirichlet condition defines a nitrogen mole fraction + * of 0.3mol/mol. + * The water phase flows from the left side to the right due to the applied pressure + * gradient of 1e5Pa/m. The nitrogen is transported with the water flow + * and leaves the domain at the right boundary, where again Dirichlet boundary + * conditions are applied. Here, the nitrogen mole fraction is set to 0.0mol/mol. + * + * This problem uses the \ref OnePNCModel model. + * + * To run the simulation execute the following line in shell: + * <tt>./test_box1pnc -parameterFile ./test_box1pnc.input</tt> or + * <tt>./test_cc1pnc -parameterFile ./test_cc1pnc.input</tt> + */ +template <class TypeTag> +class OnePNCDispersionProblem : public PorousMediumFlowProblem<TypeTag> +{ + using ParentType = PorousMediumFlowProblem<TypeTag>; + + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; + using BoundaryTypes = Dumux::BoundaryTypes<GetPropType<TypeTag, Properties::ModelTraits>::numEq()>; + using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>; + using NumEqVector = Dumux::NumEqVector<PrimaryVariables>; + using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; + using Element = typename GridView::template Codim<0>::Entity; + + using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; + using FVElementGeometry = typename GetPropType<TypeTag, Properties::GridGeometry>::LocalView; + using SubControlVolumeFace = typename FVElementGeometry::SubControlVolumeFace; + + using GridVariables = GetPropType<TypeTag, Properties::GridVariables>; + using ElementVolumeVariables = typename GridVariables::GridVolumeVariables::LocalView; + using ElementFluxVariablesCache = typename GridVariables::GridFluxVariablesCache::LocalView; + + // copy some indices for convenience + using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices; + + enum + { +#if NONISOTHERMAL + energyEqIdx = Indices::energyEqIdx, +#endif + // indices of the primary variables + pressureIdx = Indices::pressureIdx, + + // component indices + H2OIdx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::H2OIdx), + N2Idx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::N2Idx), + // indices of the equations + contiH2OEqIdx = Indices::conti0EqIdx + H2OIdx, + contiN2EqIdx = Indices::conti0EqIdx + N2Idx + }; + + //! Property that defines whether mole or mass fractions are used + static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>(); + static constexpr int numFluidComps = FluidSystem::numComponents; + static const int dimWorld = GridView::dimensionworld; + using GlobalPosition = typename SubControlVolumeFace::GlobalPosition; + +public: + OnePNCDispersionProblem(std::shared_ptr<const GridGeometry> gridGeometry) + : ParentType(gridGeometry) + { + //initialize fluid system + FluidSystem::init(); + + // stating in the console whether mole or mass fractions are used + if constexpr (useMoles) + std::cout<<"problem uses mole fractions" << '\n'; + else + std::cout<<"problem uses mass fractions" << '\n'; + + boundaryConcentration_ = getParam<Scalar>("Problem.BoundaryConcentration"); + temperatureDifference_ = getParam<Scalar>("Problem.BoundaryTemperatureDifference"); + counterFlowRate_ = getParam<Scalar>("Problem.CounterFlowRate"); + pressure_ = getParam<Scalar>("Problem.Pressure"); + problemName_ = getParam<std::string>("Problem.Name"); + } + + /*! + * \brief Returns the temperature within the domain [K]. + * + * This problem assumes a temperature of 20 degrees Celsius. + */ + Scalar temperature() const + { return 273.15 + 20; } // in [K] + + /*! + * \brief The problem name. + */ + const std::string& name() const + { return problemName_; } + + /*! + * \brief Specifies which kind of boundary condition should be + * used for which equation on a given boundary segment. + */ + BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const + { + BoundaryTypes values; + + values.setAllDirichlet(); + + if (isRightBoundary_(globalPos) || + isLowerBoundary_(globalPos) || + isUpperBoundary_(globalPos) ) + values.setAllNeumann(); + + return values; + } + + /*! + * \brief Evaluate the boundary conditions for a dirichlet + * boundary segment. + * + * For this method, the \a values parameter stores primary variables. + */ + PrimaryVariables dirichletAtPos(const GlobalPosition &globalPos) const + { + PrimaryVariables values = initialAtPos(globalPos); + + if (isLeftBoundary_(globalPos)) + { + values[contiN2EqIdx] = boundaryConcentration_; +#if NONISOTHERMAL + values[energyEqIdx] = temperature() + temperatureDifference_; +#endif + } + + return values; + } + + /*! + * \brief Evaluates the boundary conditions for a neumann + * boundary segment (implementation for the box scheme). + * + * This is the method for the case where the Neumann condition is + * potentially solution dependent and requires some quantities that + * are specific to the fully-implicit method. + * + * \param element The finite element + * \param fvGeometry The finite-volume geometry + * \param elemVolVars All volume variables for the element + * \param elemFluxVarsCache Flux variables caches for all faces in stencil + * \param scvf The sub-control volume face + * + * For this method, the \a values parameter stores the flux + * in normal direction of each phase. Negative values mean influx. + * E.g. for the mass balance that would be the mass flux in \f$ [ kg / (m^2 \cdot s)] \f$. + */ + NumEqVector neumann(const Element& element, + const FVElementGeometry& fvGeometry, + const ElementVolumeVariables& elemVolVars, + const ElementFluxVariablesCache& elemFluxVarsCache, + const SubControlVolumeFace& scvf) const + { + const auto globalPos = element.geometry().corner(scvf.insideScvIdx()); + NumEqVector values(0.0); + if (isRightBoundary_(globalPos)) + values[contiH2OEqIdx] = -1.0 * counterFlowRate_; + return values; + } + + /*! + * \brief Evaluates the source term for all phases within a given + * sub-control volume. + * + * For this method, the \a priVars parameter stores the rate mass + * of a component is generated or annihilated per volume + * unit. Positive values mean that mass is created, negative ones + * mean that it vanishes. + * + * The units must be according to either using mole or mass fractions (mole/(m^3*s) or kg/(m^3*s)). + */ + NumEqVector sourceAtPos(const GlobalPosition &globalPos) const + { return NumEqVector(0.0); } + + //#### initial value for a control volume + PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const + { + PrimaryVariables values; + + GetPropType<TypeTag, Properties::FluidState> fluidState; + fluidState.setTemperature(temperature()); + fluidState.setPressure(0, pressure_); + Scalar density = FluidSystem::density(fluidState, 0); + const Scalar depth = this->gridGeometry().bBoxMax()[1] - globalPos[1]; + const Scalar gravity = this->spatialParams().gravity(globalPos)[1]; + + values[Indices::pressureIdx] = pressure_ - (density * gravity * depth); //initial condition for the pressure + values[contiN2EqIdx] = 0.0; //initial condition for the molefraction +#if NONISOTHERMAL + values[energyEqIdx] = temperature(); +#endif + return values; + } + +private: + bool isLeftBoundary_(const GlobalPosition& globalPos) const + { return globalPos[0] < this->gridGeometry().bBoxMin()[0] + eps_; } + + bool isRightBoundary_(const GlobalPosition& globalPos) const + { return globalPos[0] > this->gridGeometry().bBoxMax()[0] - eps_; } + + bool isLowerBoundary_(const GlobalPosition& globalPos) const + { return globalPos[1] < this->gridGeometry().bBoxMin()[1] + eps_; } + + bool isUpperBoundary_(const GlobalPosition& globalPos) const + { return globalPos[1] > this->gridGeometry().bBoxMax()[1] - eps_; } + + static constexpr Scalar eps_ = 1e-6; + Scalar pressure_; + Scalar counterFlowRate_; + Scalar temperatureDifference_; + Scalar boundaryConcentration_; + std::string problemName_; +}; + +} // end namespace Dumux + +#endif diff --git a/test/porousmediumflow/1pnc/dispersion/properties.hh b/test/porousmediumflow/1pnc/dispersion/properties.hh new file mode 100644 index 0000000000000000000000000000000000000000..160a623eeb488fde71c8180fbb5d8cf81fd07ef9 --- /dev/null +++ b/test/porousmediumflow/1pnc/dispersion/properties.hh @@ -0,0 +1,120 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/** + * \file + * \ingroup OnePNCTests + * \brief Definition of a problem for the 1pnc problem: + * Component transport of nitrogen dissolved in the water phase. + */ + +#ifndef DUMUX_1P2C_TEST_PROBLEM_PROPERTIES_HH +#define DUMUX_1P2C_TEST_PROBLEM_PROPERTIES_HH + +#if HAVE_DUNE_UGGRID +#include <dune/grid/uggrid.hh> +#endif +#include <dune/grid/yaspgrid.hh> + +#ifndef NONISOTHERMAL // default to false if not set through CMake +#define NONISOTHERMAL false +#endif + +#include <dumux/common/math.hh> + +#include <dumux/discretization/cctpfa.hh> +#include <dumux/discretization/ccmpfa.hh> +#include <dumux/discretization/box.hh> +#include <dumux/discretization/evalsolution.hh> +#include <dumux/discretization/evalgradients.hh> +#include <dumux/porousmediumflow/1pnc/model.hh> +#include <dumux/material/fluidmatrixinteractions/dispersiontensors/fulltensor.hh> +#include <dumux/material/fluidmatrixinteractions/dispersiontensors/scheidegger.hh> + +#include <dumux/material/fluidsystems/h2on2.hh> +#include <dumux/material/fluidsystems/1padapter.hh> + +#include "problem.hh" +#include "spatialparams.hh" + +namespace Dumux::Properties { + +// Create new type tags +namespace TTag { +struct DispersionTest { using InheritsFrom = std::tuple<BoxModel>; }; +struct OnePNCDispersionTestBox { using InheritsFrom = std::tuple<DispersionTest, OnePNC>; }; +struct OnePNCNIDispersionTestBox { using InheritsFrom = std::tuple<DispersionTest, OnePNCNI>; }; +} // end namespace TTag + +// Set the grid type +#if HAVE_DUNE_UGGRID +template<class TypeTag> +struct Grid<TypeTag, TTag::DispersionTest> { using type = Dune::UGGrid<2>; }; +#else +template<class TypeTag> +struct Grid<TypeTag, TTag::DispersionTest> { using type = Dune::YaspGrid<2>; }; +#endif + +// Set the problem property +template<class TypeTag> +struct Problem<TypeTag, TTag::DispersionTest> { using type = OnePNCDispersionProblem<TypeTag>; }; + +// Set fluid configuration +template<class TypeTag> +struct FluidSystem<TypeTag, TTag::DispersionTest> +{ + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + using H2ON2 = FluidSystems::H2ON2<Scalar, FluidSystems::H2ON2DefaultPolicy</*simplified=*/true>>; + using type = FluidSystems::OnePAdapter<H2ON2, H2ON2::liquidPhaseIdx>; +}; + +// Set the spatial parameters +template<class TypeTag> +struct SpatialParams<TypeTag, TTag::DispersionTest> +{ + using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; + using Scalar = GetPropType<TypeTag, Properties::Scalar>; + using type = OnePNCTestSpatialParams<GridGeometry, Scalar>; +}; + +// Define whether mole(true) or mass (false) fractions are used +template<class TypeTag> +struct UseMoles<TypeTag, TTag::DispersionTest> { static constexpr bool value = true; }; + +template<class TypeTag> +struct EnableCompositionalDispersion<TypeTag, TTag::DispersionTest> { static constexpr bool value = true; }; + +template<class TypeTag> +struct EnableThermalDispersion<TypeTag, TTag::DispersionTest> { static constexpr bool value = NONISOTHERMAL; }; + +template<class TypeTag> +struct DispersionFluxType<TypeTag, TTag::DispersionTest> { using type = OnePDiffusiveDispersionFlux<TypeTag>; }; + +template<class TypeTag> +struct DispersionTensorType<TypeTag, TTag::DispersionTest> +{ +#if SCHEIDEGGER + using type = ScheideggersDispersionTensor<TypeTag>; +#else + using type = FullDispersionTensor<TypeTag>; +#endif +}; + +} // end namespace Dumux::Properties + +#endif diff --git a/test/porousmediumflow/1pnc/dispersion/spatialparams.hh b/test/porousmediumflow/1pnc/dispersion/spatialparams.hh new file mode 100644 index 0000000000000000000000000000000000000000..a93c2d78e6bdb7e2b955c6571e5496265e8705ea --- /dev/null +++ b/test/porousmediumflow/1pnc/dispersion/spatialparams.hh @@ -0,0 +1,136 @@ +// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- +// vi: set et ts=4 sw=4 sts=4: +/***************************************************************************** + * See the file COPYING for full copying permissions. * + * * + * This program 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 3 of the License, or * + * (at your option) any later version. * + * * + * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. * + *****************************************************************************/ +/*! + * \file + * \ingroup OnePNCTests + * \brief Definition of the spatial parameters for the 1pnc problems. + */ + +#ifndef DUMUX_1PNC_TEST_SPATIAL_PARAMS_HH +#define DUMUX_1PNC_TEST_SPATIAL_PARAMS_HH + +#include <dumux/porousmediumflow/properties.hh> +#include <dumux/material/spatialparams/fv1p.hh> + +namespace Dumux { + +/*! + * \ingroup OnePNCTests + * \brief Definition of the spatial parameters for the 1pnc test problems. + */ +template<class GridGeometry, class Scalar> +class OnePNCTestSpatialParams +: public FVSpatialParamsOneP<GridGeometry, Scalar, + OnePNCTestSpatialParams<GridGeometry, Scalar>> +{ + using GridView = typename GridGeometry::GridView; + using FVElementGeometry = typename GridGeometry::LocalView; + using SubControlVolume = typename FVElementGeometry::SubControlVolume; + using Element = typename GridView::template Codim<0>::Entity; + using ParentType = FVSpatialParamsOneP<GridGeometry, Scalar, + OnePNCTestSpatialParams<GridGeometry, Scalar>>; + + static const int dimWorld = GridView::dimensionworld; + using GlobalPosition = typename Dune::FieldVector<Scalar, dimWorld>; + +public: + // export permeability type + using PermeabilityType = Scalar; + using DimWorldMatrix = Dune::FieldMatrix<Scalar, dimWorld, dimWorld>; + + OnePNCTestSpatialParams(std::shared_ptr<const GridGeometry> gridGeometry) + : ParentType(gridGeometry) + { + permeability_ = 1e-10; + porosity_ = 0.4; + alphaL_ = getParam<Scalar>("Problem.AlphaL"); + alphaT_ = getParam<Scalar>("Problem.AlphaT"); + dispersionTensorCoefficients_ = getParam<std::vector<Scalar>>("Problem.DispersionTensor"); + } + + /*! + * \brief Defines the intrinsic permeability \f$\mathrm{[m^2]}\f$. + * + * \param globalPos The global position + */ + PermeabilityType permeabilityAtPos(const GlobalPosition& globalPos) const + { return permeability_; } + + /*! + * \brief Defines the porosity \f$\mathrm{[-]}\f$. + * + * \param globalPos The global position + */ + Scalar porosityAtPos(const GlobalPosition& globalPos) const + { return porosity_; } + + /*! + * \brief Defines the dispersion tensor \f$\mathrm{[-]}\f$. + * + * \param globalPos The global position + */ + std::array<Scalar, 2> dispersionAlphas(const GlobalPosition& globalPos) const + { return { alphaL_, alphaT_ }; } + + /*! + * \brief Defines the dispersion tensor \f$\mathrm{[-]}\f$. + * + * \param globalPos The global position + */ + DimWorldMatrix dispersionTensor(const GlobalPosition& globalPos) const + { + DimWorldMatrix dispersionTensor(0.0); + if (dispersionTensorCoefficients_.size() > 1) + { + if (dispersionTensorCoefficients_.size() != (dimWorld*dimWorld)) + DUNE_THROW(Dune::InvalidStateException, "For anisotropic dispersion tensors, please list all entries (dim x dim)."); + + int k = 0; + for (int i = 0; i < dimWorld; i++) + { + for (int j = 0; j < dimWorld; j++) + { + dispersionTensor[i][j] = dispersionTensorCoefficients_[k]; + k++; + } + } + } + else + { + if (dispersionTensorCoefficients_.size() != 1) + DUNE_THROW(Dune::InvalidStateException, "For isotropic dispersion tensors, please one scalar value."); + + for (int i = 0; i < dimWorld; i++) + dispersionTensor[i][i] = dispersionTensorCoefficients_[0]; + } + + return dispersionTensor; + } + +private: + Scalar permeability_; + Scalar porosity_; + Scalar alphaL_; + Scalar alphaT_; + std::vector<Scalar> dispersionTensorCoefficients_; +}; + +} // end namespace Dumux + +#endif diff --git a/test/porousmediumflow/tracer/constvel/CMakeLists.txt b/test/porousmediumflow/tracer/constvel/CMakeLists.txt index 701f308b901ee088a3f11216f75ae385032653c6..201fe0b083d927a96dbb91bec1e970fc2887bd3e 100644 --- a/test/porousmediumflow/tracer/constvel/CMakeLists.txt +++ b/test/porousmediumflow/tracer/constvel/CMakeLists.txt @@ -68,3 +68,29 @@ dumux_add_test(NAME test_tracer_implicit_box --files ${CMAKE_SOURCE_DIR}/test/references/test_tracer_implicit_box-reference.vtu ${CMAKE_CURRENT_BINARY_DIR}/test_tracer_implicit_box-00010.vtu --command "${CMAKE_CURRENT_BINARY_DIR}/test_tracer_implicit_box params.input -Problem.Name test_tracer_implicit_box") + +dumux_add_test(NAME test_tracer_implicit_dispersion_box + LABELS porousmediumflow tracer dispersion + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=TracerTestBox IMPLICIT=true USEMOLES=false ENABLEDISPERSION=true + CMAKE_GUARD HAVE_UMFPACK + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_tracer_implicit_dispersion_box-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_tracer_implicit_dispersion_box-00010.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_tracer_implicit_dispersion_box params.input -Problem.Name test_tracer_implicit_dispersion_box + -Problem.AlphaL 0.02 + -Problem.AlphaT 0.008") + +dumux_add_test(NAME test_tracer_implicit_dispersion_tpfa + LABELS porousmediumflow tracer dispersion + SOURCES main.cc + COMPILE_DEFINITIONS TYPETAG=TracerTestTpfa IMPLICIT=true USEMOLES=false ENABLEDISPERSION=true + CMAKE_GUARD HAVE_UMFPACK + COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py + CMD_ARGS --script fuzzy + --files ${CMAKE_SOURCE_DIR}/test/references/test_tracer_implicit_dispersion_tpfa-reference.vtu + ${CMAKE_CURRENT_BINARY_DIR}/test_tracer_implicit_dispersion_tpfa-00010.vtu + --command "${CMAKE_CURRENT_BINARY_DIR}/test_tracer_implicit_dispersion_tpfa params.input -Problem.Name test_tracer_implicit_dispersion_tpfa + -Problem.AlphaL 0.02 + -Problem.AlphaT 0.008") diff --git a/test/porousmediumflow/tracer/constvel/properties.hh b/test/porousmediumflow/tracer/constvel/properties.hh index c8b600e42326c2f5cfbc52d38fa46384fb92bbd6..f2b75ab2044de33892f82447bbe2d0cee700d67e 100644 --- a/test/porousmediumflow/tracer/constvel/properties.hh +++ b/test/porousmediumflow/tracer/constvel/properties.hh @@ -39,6 +39,10 @@ #define USEMOLES true #endif +#ifndef ENABLEDISPERSION // default to false if not set through CMake +#define ENABLEDISPERSION false +#endif + #include "problem.hh" namespace Dumux::Properties { @@ -79,6 +83,9 @@ struct SpatialParams<TypeTag, TTag::TracerTest> template<class TypeTag> struct UseMoles<TypeTag, TTag::TracerTest> { static constexpr bool value = USEMOLES; }; +template<class TypeTag> +struct EnableCompositionalDispersion<TypeTag, TTag::TracerTest> { static constexpr bool value = ENABLEDISPERSION; }; + //! A simple fluid system with one tracer component template<class TypeTag> class TracerFluidSystem : public FluidSystems::Base<GetPropType<TypeTag, Properties::Scalar>, diff --git a/test/porousmediumflow/tracer/constvel/spatialparams.hh b/test/porousmediumflow/tracer/constvel/spatialparams.hh index f73db8a99b2d3f869a462187bc9688156c03a734..583bad5d65dce3305ffe7ee9bab32ebe3324768c 100644 --- a/test/porousmediumflow/tracer/constvel/spatialparams.hh +++ b/test/porousmediumflow/tracer/constvel/spatialparams.hh @@ -53,7 +53,13 @@ class TracerTestSpatialParams public: TracerTestSpatialParams(std::shared_ptr<const GridGeometry> gridGeometry) - : ParentType(gridGeometry) {} + : ParentType(gridGeometry) + { +#if ENABLEDISPERSION + alphaL_ = getParam<Scalar>("Problem.AlphaL"); + alphaT_ = getParam<Scalar>("Problem.AlphaT"); +#endif + } /*! * \brief Defines the porosity \f$\mathrm{[-]}\f$. @@ -116,6 +122,19 @@ public: return velocity(scvf) * scvf.unitOuterNormal() * scvf.area() * elemVolVars[fvGeometry.scv(scvf.insideScvIdx())].extrusionFactor(); } + + + /*! + * \brief Defines the dispersion tensor \f$\mathrm{[-]}\f$. + * + * \param globalPos The global position + */ + std::array<Scalar, 2> dispersionAlphas(const GlobalPosition& globalPos) const + { return { alphaL_, alphaT_ }; } + +private: + Scalar alphaL_; + Scalar alphaT_; }; } // end namespace Dumux diff --git a/test/references/test_1pnc_dispersion_fulldispersiontensor_anisotropic-reference.vtu b/test/references/test_1pnc_dispersion_fulldispersiontensor_anisotropic-reference.vtu new file mode 100644 index 0000000000000000000000000000000000000000..6b357ab44c47e6f0a8c022c65cc999917a526f22 --- /dev/null +++ b/test/references/test_1pnc_dispersion_fulldispersiontensor_anisotropic-reference.vtu @@ -0,0 +1,797 @@ +<?xml version="1.0"?> +<VTKFile type="UnstructuredGrid" version="0.1" byte_order="LittleEndian"> + <UnstructuredGrid> + <Piece NumberOfCells="400" NumberOfPoints="441"> + <PointData Scalars="p" 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