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|---|---|---|---|
| 1 | // -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- | ||
| 2 | // vi: set et ts=4 sw=4 sts=4: | ||
| 3 | // | ||
| 4 | // SPDX-FileCopyrightText: Copyright © DuMux Project contributors, see AUTHORS.md in root folder | ||
| 5 | // SPDX-License-Identifier: GPL-3.0-or-later | ||
| 6 | // | ||
| 7 | /*! | ||
| 8 | * \file | ||
| 9 | * \ingroup PoreNetworkFlux | ||
| 10 | * \brief This file contains the data which is required to calculate | ||
| 11 | * diffusive mass fluxes due to molecular diffusion with Fick's law. | ||
| 12 | */ | ||
| 13 | #ifndef DUMUX_FLUX_PNM_FICKS_LAW_HH | ||
| 14 | #define DUMUX_FLUX_PNM_FICKS_LAW_HH | ||
| 15 | |||
| 16 | #include <dune/common/fvector.hh> | ||
| 17 | #include <dumux/common/math.hh> | ||
| 18 | #include <dumux/flux/referencesystemformulation.hh> | ||
| 19 | #include <dumux/flux/fickiandiffusioncoefficients.hh> | ||
| 20 | |||
| 21 | namespace Dumux::PoreNetwork { | ||
| 22 | |||
| 23 | /*! | ||
| 24 | * \ingroup PoreNetworkFlux | ||
| 25 | * \brief Specialization of Fick's Law for the pore-network model. | ||
| 26 | */ | ||
| 27 | template<class Scalar, int numPhases, int numComponents, | ||
| 28 | ReferenceSystemFormulation referenceSystem = ReferenceSystemFormulation::massAveraged> | ||
| 29 | class PNMFicksLaw | ||
| 30 | { | ||
| 31 | public: | ||
| 32 | using DiffusionCoefficientsContainer = FickianDiffusionCoefficients<Scalar, numPhases, numComponents>; | ||
| 33 | |||
| 34 | //return the reference system | ||
| 35 | static constexpr ReferenceSystemFormulation referenceSystemFormulation() | ||
| 36 | { return referenceSystem; } | ||
| 37 | |||
| 38 | template<class Problem, class Element, class FVElementGeometry, | ||
| 39 | class ElementVolumeVariables, class ElementFluxVariablesCache> | ||
| 40 | static Dune::FieldVector<Scalar, numComponents> | ||
| 41 | 327716 | flux(const Problem& problem, | |
| 42 | const Element& element, | ||
| 43 | const FVElementGeometry& fvGeometry, | ||
| 44 | const ElementVolumeVariables& elemVolVars, | ||
| 45 | const typename FVElementGeometry::SubControlVolumeFace& scvf, | ||
| 46 | const int phaseIdx, | ||
| 47 | const ElementFluxVariablesCache& elemFluxVarsCache) | ||
| 48 | { | ||
| 49 | 327716 | Dune::FieldVector<Scalar, numComponents> componentFlux(0.0); | |
| 50 | |||
| 51 | // get inside and outside diffusion tensors and calculate the harmonic mean | ||
| 52 | 327716 | const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; | |
| 53 | 327716 | const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; | |
| 54 | |||
| 55 | 327716 | const auto& fluxVarsCache = elemFluxVarsCache[scvf]; | |
| 56 | |||
| 57 | 327716 | const Scalar density = 0.5 * (massOrMolarDensity(insideVolVars, referenceSystem, phaseIdx) + massOrMolarDensity(outsideVolVars, referenceSystem, phaseIdx)); | |
| 58 | 327716 | const Scalar throatLength = fluxVarsCache.throatLength(); | |
| 59 | 327716 | const Scalar phaseCrossSectionalArea = fluxVarsCache.throatCrossSectionalArea(phaseIdx); | |
| 60 | |||
| 61 |
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983148 | for (int compIdx = 0; compIdx < numComponents; compIdx++) |
| 62 | { | ||
| 63 |
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655432 | if(compIdx == phaseIdx) |
| 64 | 327716 | continue; | |
| 65 | |||
| 66 | 327716 | auto insideDiffCoeff = getDiffusionCoefficient_(phaseIdx, compIdx, insideVolVars); | |
| 67 | 327716 | auto outsideDiffCoeff = getDiffusionCoefficient_(phaseIdx, compIdx, outsideVolVars); | |
| 68 | |||
| 69 | // scale by extrusion factor | ||
| 70 | 327716 | insideDiffCoeff *= insideVolVars.extrusionFactor(); | |
| 71 |
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327716 | outsideDiffCoeff *= outsideVolVars.extrusionFactor(); |
| 72 | |||
| 73 | // the resulting averaged diffusion coefficient | ||
| 74 | 327716 | const auto diffCoeff = harmonicMean(insideDiffCoeff, outsideDiffCoeff); | |
| 75 | |||
| 76 | 327716 | const Scalar insideMoleFraction = massOrMoleFraction(insideVolVars, referenceSystem, phaseIdx, compIdx); | |
| 77 | 327716 | const Scalar outsideMoleFraction = massOrMoleFraction(outsideVolVars, referenceSystem, phaseIdx, compIdx); | |
| 78 | |||
| 79 | 327716 | componentFlux[compIdx] = density * (insideMoleFraction - outsideMoleFraction) / throatLength * diffCoeff * phaseCrossSectionalArea; | |
| 80 | 327716 | componentFlux[phaseIdx] -= componentFlux[compIdx]; | |
| 81 | } | ||
| 82 | 327716 | return componentFlux; | |
| 83 | } | ||
| 84 | private: | ||
| 85 | |||
| 86 | template<class VolumeVariables> | ||
| 87 | 655432 | static Scalar getDiffusionCoefficient_(const int phaseIdx, const int compIdx, | |
| 88 | const VolumeVariables& volVars) | ||
| 89 | { | ||
| 90 | using FluidSystem = typename VolumeVariables::FluidSystem; | ||
| 91 | |||
| 92 | if constexpr (!FluidSystem::isTracerFluidSystem()) | ||
| 93 | { | ||
| 94 | 655432 | const auto mainCompIdx = FluidSystem::getMainComponent(phaseIdx); | |
| 95 |
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327716 | return volVars.diffusionCoefficient(phaseIdx, mainCompIdx, compIdx); |
| 96 | } | ||
| 97 | else | ||
| 98 | return volVars.diffusionCoefficient(0, 0, compIdx); | ||
| 99 | } | ||
| 100 | }; | ||
| 101 | } // end namespace Dumux::PoreNetwork | ||
| 102 | |||
| 103 | #endif | ||
| 104 |