GCC Code Coverage Report


Directory: ../../../builds/dumux-repositories/
File: dumux/dumux/multidomain/boundary/stokesdarcy/couplingdata.hh
Date: 2025-04-12 19:19:20
Exec Total Coverage
Lines: 257 262 98.1%
Functions: 62 62 100.0%
Branches: 62 105 59.0%

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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 StokesDarcyCoupling
10 * \copydoc Dumux::StokesDarcyCouplingData
11 */
12
13 #ifndef DUMUX_STOKES_DARCY_COUPLINGDATA_HH
14 #define DUMUX_STOKES_DARCY_COUPLINGDATA_HH
15
16 #include <numeric>
17
18 #include <dumux/common/properties.hh>
19 #include <dumux/common/math.hh>
20 #include <dumux/discretization/method.hh>
21 #include <dumux/discretization/cellcentered/tpfa/computetransmissibility.hh>
22 #include <dumux/flux/referencesystemformulation.hh>
23 #include <dumux/multidomain/couplingmanager.hh>
24
25 namespace Dumux {
26
27 /*!
28 * \ingroup StokesDarcyCoupling
29 * \brief This structs holds a set of options which allow to modify the Stokes-Darcy
30 * coupling mechanism during runtime.
31 */
32 struct StokesDarcyCouplingOptions
33 {
34 /*!
35 * \brief Defines which kind of averanging of diffusion coefficiencients
36 * (moleculat diffusion or thermal conductance) at the interface
37 * between free flow and porous medium shall be used.
38 */
39 enum class DiffusionCoefficientAveragingType
40 {
41 harmonic, arithmetic, ffOnly, pmOnly
42 };
43
44 /*!
45 * \brief Convenience function to convert user input given as std::string to the corresponding enum class used for choosing the type
46 * of averaging of the diffusion/conduction parameter at the interface between the two domains.
47 */
48 4 static DiffusionCoefficientAveragingType stringToEnum(DiffusionCoefficientAveragingType, const std::string& diffusionCoefficientAveragingType)
49 {
50
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4 if (diffusionCoefficientAveragingType == "Harmonic")
51 return DiffusionCoefficientAveragingType::harmonic;
52
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4 else if (diffusionCoefficientAveragingType == "Arithmetic")
53 return DiffusionCoefficientAveragingType::arithmetic;
54
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4 else if (diffusionCoefficientAveragingType == "FreeFlowOnly")
55 return DiffusionCoefficientAveragingType::ffOnly;
56 else if (diffusionCoefficientAveragingType == "PorousMediumOnly")
57 return DiffusionCoefficientAveragingType::pmOnly;
58 else
59 DUNE_THROW(Dune::IOError, "Unknown DiffusionCoefficientAveragingType");
60 }
61
62 };
63
64 /*!
65 * \ingroup StokesDarcyCoupling
66 * \brief This structs helps to check if the two sub models use the same fluidsystem.
67 * Specialization for the case of using an adapter only for the free-flow model.
68 * \tparam FFFS The free-flow fluidsystem
69 * \tparam PMFS The porous-medium flow fluidsystem
70 */
71 template<class FFFS, class PMFS>
72 struct IsSameFluidSystem
73 {
74 static_assert(FFFS::numPhases == 1, "Only single-phase fluidsystems may be used for free flow.");
75 static constexpr bool value = std::is_same<typename FFFS::MultiPhaseFluidSystem, PMFS>::value;
76 };
77
78 /*!
79 * \ingroup StokesDarcyCoupling
80 * \brief This structs helps to check if the two sub models use the same fluidsystem.
81 * \tparam FS The fluidsystem
82 */
83 template<class FS>
84 struct IsSameFluidSystem<FS, FS>
85 {
86 static_assert(FS::numPhases == 1, "Only single-phase fluidsystems may be used for free flow.");
87 static constexpr bool value = std::is_same<FS, FS>::value; // always true
88 };
89
90 // forward declaration
91 template <class TypeTag, class DiscretizationMethod, ReferenceSystemFormulation referenceSystem>
92 class FicksLawImplementation;
93
94 /*!
95 * \ingroup StokesDarcyCoupling
96 * \brief This structs indicates that Fick's law is not used for diffusion.
97 * \tparam DiffLaw The diffusion law.
98 */
99 template<class DiffLaw>
100 struct IsFicksLaw : public std::false_type {};
101
102 /*!
103 * \ingroup StokesDarcyCoupling
104 * \brief This structs indicates that Fick's law is used for diffusion.
105 * \tparam DiffLaw The diffusion law.
106 */
107 template<class T, class DiscretizationMethod, ReferenceSystemFormulation referenceSystem>
108 struct IsFicksLaw<FicksLawImplementation<T, DiscretizationMethod, referenceSystem>> : public std::true_type {};
109
110 /*!
111 * \ingroup StokesDarcyCoupling
112 * \brief Helper struct to choose the correct index for phases and components. This is need if the porous-medium-flow model
113 features more fluid phases than the free-flow model.
114 * \tparam stokesIdx The domain index of the free-flow model.
115 * \tparam darcyIdx The domain index of the porous-medium-flow model.
116 * \tparam FFFS The free-flow fluidsystem.
117 * \tparam hasAdapter Specifies whether an adapter class for the fluidsystem is used.
118 */
119 template<std::size_t stokesIdx, std::size_t darcyIdx, class FFFS, bool hasAdapter>
120 struct IndexHelper;
121
122 /*!
123 * \ingroup StokesDarcyCoupling
124 * \brief Helper struct to choose the correct index for phases and components. This is need if the porous-medium-flow model
125 features more fluid phases than the free-flow model. Specialization for the case that no adapter is used.
126 * \tparam stokesIdx The domain index of the free-flow model.
127 * \tparam darcyIdx The domain index of the porous-medium-flow model.
128 * \tparam FFFS The free-flow fluidsystem.
129 */
130 template<std::size_t stokesIdx, std::size_t darcyIdx, class FFFS>
131 struct IndexHelper<stokesIdx, darcyIdx, FFFS, false>
132 {
133 /*!
134 * \brief No adapter is used, just return the input index.
135 */
136 template<std::size_t i>
137 static constexpr auto couplingPhaseIdx(Dune::index_constant<i>, int coupledPhaseIdx = 0)
138 { return coupledPhaseIdx; }
139
140 /*!
141 * \brief No adapter is used, just return the input index.
142 */
143 template<std::size_t i>
144 static constexpr auto couplingCompIdx(Dune::index_constant<i>, int coupledCompdIdx)
145 { return coupledCompdIdx; }
146 };
147
148 /*!
149 * \ingroup StokesDarcyCoupling
150 * \brief Helper struct to choose the correct index for phases and components. This is need if the porous-medium-flow model
151 features more fluid phases than the free-flow model. Specialization for the case that a adapter is used.
152 * \tparam stokesIdx The domain index of the free-flow model.
153 * \tparam darcyIdx The domain index of the porous-medium-flow model.
154 * \tparam FFFS The free-flow fluidsystem.
155 */
156 template<std::size_t stokesIdx, std::size_t darcyIdx, class FFFS>
157 struct IndexHelper<stokesIdx, darcyIdx, FFFS, true>
158 {
159 /*!
160 * \brief The free-flow model always uses phase index 0.
161 */
162 static constexpr auto couplingPhaseIdx(Dune::index_constant<stokesIdx>, int coupledPhaseIdx = 0)
163 { return 0; }
164
165 /*!
166 * \brief The phase index of the porous-medium-flow model is given by the adapter fluidsytem (i.e., user input).
167 */
168 static constexpr auto couplingPhaseIdx(Dune::index_constant<darcyIdx>, int coupledPhaseIdx = 0)
169 { return FFFS::multiphaseFluidsystemPhaseIdx; }
170
171 /*!
172 * \brief The free-flow model does not need any change of the component index.
173 */
174 static constexpr auto couplingCompIdx(Dune::index_constant<stokesIdx>, int coupledCompdIdx)
175 { return coupledCompdIdx; }
176
177 /*!
178 * \brief The component index of the porous-medium-flow model is mapped by the adapter fluidsytem.
179 */
180 548454 static constexpr auto couplingCompIdx(Dune::index_constant<darcyIdx>, int coupledCompdIdx)
181 548454 { return FFFS::compIdx(coupledCompdIdx); }
182 };
183
184 //! forward declare
185 template <class TypeTag, class DiscretizationMethod>
186 class DarcysLawImplementation;
187
188 //! forward declare
189 template <class TypeTag, class DiscretizationMethod>
190 class ForchheimersLawImplementation;
191
192
193 template<class MDTraits, class CouplingManager, bool enableEnergyBalance, bool isCompositional>
194 class StokesDarcyCouplingDataImplementation;
195
196 /*!
197 * \ingroup StokesDarcyCoupling
198 * \brief Data for the coupling of a Darcy model (cell-centered finite volume)
199 * with a (Navier-)Stokes model (staggerd grid).
200 */
201 template<class MDTraits, class CouplingManager>
202 using StokesDarcyCouplingData = StokesDarcyCouplingDataImplementation<MDTraits, CouplingManager,
203 GetPropType<typename MDTraits::template SubDomain<0>::TypeTag, Properties::ModelTraits>::enableEnergyBalance(),
204 (GetPropType<typename MDTraits::template SubDomain<0>::TypeTag, Properties::ModelTraits>::numFluidComponents() > 1)>;
205
206 /*!
207 * \ingroup StokesDarcyCoupling
208 * \brief A base class which provides some common methods used for Stokes-Darcy coupling.
209 */
210 template<class MDTraits, class CouplingManager>
211 class StokesDarcyCouplingDataImplementationBase
212 {
213 using Scalar = typename MDTraits::Scalar;
214
215 template<std::size_t id> using SubDomainTypeTag = typename MDTraits::template SubDomain<id>::TypeTag;
216 template<std::size_t id> using GridGeometry = GetPropType<SubDomainTypeTag<id>, Properties::GridGeometry>;
217 template<std::size_t id> using Element = typename GridGeometry<id>::GridView::template Codim<0>::Entity;
218 template<std::size_t id> using FVElementGeometry = typename GridGeometry<id>::LocalView;
219 template<std::size_t id> using SubControlVolumeFace = typename GridGeometry<id>::LocalView::SubControlVolumeFace;
220 template<std::size_t id> using SubControlVolume = typename GridGeometry<id>::LocalView::SubControlVolume;
221 template<std::size_t id> using Indices = typename GetPropType<SubDomainTypeTag<id>, Properties::ModelTraits>::Indices;
222 template<std::size_t id> using ElementVolumeVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridVolumeVariables>::LocalView;
223 template<std::size_t id> using VolumeVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridVolumeVariables>::VolumeVariables;
224 template<std::size_t id> using Problem = GetPropType<SubDomainTypeTag<id>, Properties::Problem>;
225 template<std::size_t id> using FluidSystem = GetPropType<SubDomainTypeTag<id>, Properties::FluidSystem>;
226 template<std::size_t id> using ModelTraits = GetPropType<SubDomainTypeTag<id>, Properties::ModelTraits>;
227 template<std::size_t id> using GlobalPosition = typename Element<id>::Geometry::GlobalCoordinate;
228 static constexpr auto stokesIdx = CouplingManager::stokesIdx;
229 static constexpr auto darcyIdx = CouplingManager::darcyIdx;
230
231 using AdvectionType = GetPropType<SubDomainTypeTag<darcyIdx>, Properties::AdvectionType>;
232 using DarcysLaw = DarcysLawImplementation<SubDomainTypeTag<darcyIdx>, typename GridGeometry<darcyIdx>::DiscretizationMethod>;
233 using ForchheimersLaw = ForchheimersLawImplementation<SubDomainTypeTag<darcyIdx>, typename GridGeometry<darcyIdx>::DiscretizationMethod>;
234
235 static constexpr bool adapterUsed = ModelTraits<darcyIdx>::numFluidPhases() > 1;
236 using IndexHelper = Dumux::IndexHelper<stokesIdx, darcyIdx, FluidSystem<stokesIdx>, adapterUsed>;
237
238 static constexpr int enableEnergyBalance = GetPropType<SubDomainTypeTag<stokesIdx>, Properties::ModelTraits>::enableEnergyBalance();
239 static_assert(GetPropType<SubDomainTypeTag<darcyIdx>, Properties::ModelTraits>::enableEnergyBalance() == enableEnergyBalance,
240 "All submodels must both be either isothermal or non-isothermal");
241
242 static_assert(IsSameFluidSystem<FluidSystem<stokesIdx>,
243 FluidSystem<darcyIdx>>::value,
244 "All submodels must use the same fluid system");
245
246 using DiffusionCoefficientAveragingType = typename StokesDarcyCouplingOptions::DiffusionCoefficientAveragingType;
247
248 public:
249 17 StokesDarcyCouplingDataImplementationBase(const CouplingManager& couplingmanager): couplingManager_(couplingmanager) {}
250
251 /*!
252 * \brief Returns the corresponding phase index needed for coupling.
253 */
254 template<std::size_t i>
255 static constexpr auto couplingPhaseIdx(Dune::index_constant<i> id, int coupledPhaseIdx = 0)
256 { return IndexHelper::couplingPhaseIdx(id, coupledPhaseIdx); }
257
258 /*!
259 * \brief Returns the corresponding component index needed for coupling.
260 */
261 template<std::size_t i>
262
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112576 static constexpr auto couplingCompIdx(Dune::index_constant<i> id, int coupledCompdIdx)
263 548454 { return IndexHelper::couplingCompIdx(id, coupledCompdIdx); }
264
265 /*!
266 * \brief Returns a reference to the coupling manager.
267 */
268 1364080 const CouplingManager& couplingManager() const
269 1364080 { return couplingManager_; }
270
271 /*!
272 * \brief Returns the intrinsic permeability of the coupled Darcy element.
273 */
274 863710 auto darcyPermeability(const Element<stokesIdx>& element, const SubControlVolumeFace<stokesIdx>& scvf) const
275 {
276 863710 const auto& stokesContext = couplingManager().stokesCouplingContext(element, scvf);
277 863710 return stokesContext.volVars.permeability();
278 }
279
280 /*!
281 * \brief Returns the momentum flux across the coupling boundary.
282 *
283 * For the normal momentum coupling, the porous medium side of the coupling condition
284 * is evaluated, i.e. -[p n]^pm.
285 *
286 */
287 template<class ElementFaceVariables>
288 346770 Scalar momentumCouplingCondition(const Element<stokesIdx>& element,
289 const FVElementGeometry<stokesIdx>& fvGeometry,
290 const ElementVolumeVariables<stokesIdx>& stokesElemVolVars,
291 const ElementFaceVariables& stokesElemFaceVars,
292 const SubControlVolumeFace<stokesIdx>& scvf) const
293 {
294 static constexpr auto numPhasesDarcy = GetPropType<SubDomainTypeTag<darcyIdx>, Properties::ModelTraits>::numFluidPhases();
295
296 346770 Scalar momentumFlux(0.0);
297 346770 const auto& stokesContext = couplingManager_.stokesCouplingContext(element, scvf);
298 346770 const auto darcyPhaseIdx = couplingPhaseIdx(darcyIdx);
299
300 // - p_pm * n_pm = p_pm * n_ff
301
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346770 const Scalar darcyPressure = stokesContext.volVars.pressure(darcyPhaseIdx);
302
303 if(numPhasesDarcy > 1)
304 124528 momentumFlux = darcyPressure;
305 else // use pressure reconstruction for single phase models
306 222242 momentumFlux = pressureAtInterface_(element, scvf, stokesElemFaceVars, stokesContext);
307 // TODO: generalize for permeability tensors
308
309 // normalize pressure
310 if(getPropValue<SubDomainTypeTag<stokesIdx>, Properties::NormalizePressure>())
311
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346770 momentumFlux -= couplingManager_.problem(stokesIdx).initial(scvf)[Indices<stokesIdx>::pressureIdx];
312
313 346770 momentumFlux *= scvf.directionSign();
314
315 346770 return momentumFlux;
316 }
317
318 /*!
319 * \brief Evaluate an advective flux across the interface and consider upwinding.
320 */
321 881080 Scalar advectiveFlux(const Scalar insideQuantity, const Scalar outsideQuantity, const Scalar volumeFlow, bool insideIsUpstream) const
322 {
323 881080 const Scalar upwindWeight = 1.0; //TODO use Flux.UpwindWeight or something like Coupling.UpwindWeight?
324
325
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820404 if(insideIsUpstream)
326 399208 return (upwindWeight * insideQuantity + (1.0 - upwindWeight) * outsideQuantity) * volumeFlow;
327 else
328 481872 return (upwindWeight * outsideQuantity + (1.0 - upwindWeight) * insideQuantity) * volumeFlow;
329 }
330
331 protected:
332
333 /*!
334 * \brief Returns the transmissibility used for either molecular diffusion or thermal conductivity.
335 */
336 template<std::size_t i, std::size_t j>
337 731676 Scalar transmissibility_(Dune::index_constant<i> domainI,
338 Dune::index_constant<j> domainJ,
339 const Scalar insideDistance,
340 const Scalar outsideDistance,
341 const Scalar avgQuantityI,
342 const Scalar avgQuantityJ,
343 const DiffusionCoefficientAveragingType diffCoeffAvgType) const
344 {
345 731676 const Scalar totalDistance = insideDistance + outsideDistance;
346
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731676 if(diffCoeffAvgType == DiffusionCoefficientAveragingType::harmonic)
347 {
348 63200 return harmonicMean(avgQuantityI, avgQuantityJ, insideDistance, outsideDistance)
349 63200 / totalDistance;
350 }
351
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668476 else if(diffCoeffAvgType == DiffusionCoefficientAveragingType::arithmetic)
352 {
353 return arithmeticMean(avgQuantityI, avgQuantityJ, insideDistance, outsideDistance)
354 / totalDistance;
355 }
356
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668476 else if(diffCoeffAvgType == DiffusionCoefficientAveragingType::ffOnly)
357 return domainI == stokesIdx
358 ? avgQuantityI / totalDistance
359 668476 : avgQuantityJ / totalDistance;
360
361 else // diffCoeffAvgType == DiffusionCoefficientAveragingType::pmOnly)
362 return domainI == darcyIdx
363 ? avgQuantityI / totalDistance
364 : avgQuantityJ / totalDistance;
365 }
366
367 /*!
368 * \brief Returns the distance between an scvf and the corresponding scv center.
369 */
370 template<class Scv, class Scvf>
371 1799000 Scalar getDistance_(const Scv& scv, const Scvf& scvf) const
372 {
373 3598000 return (scv.dofPosition() - scvf.ipGlobal()).two_norm();
374 }
375
376 /*!
377 * \brief Returns the conductive energy flux across the interface.
378 */
379 template<std::size_t i, std::size_t j, bool isNI = enableEnergyBalance, typename std::enable_if_t<isNI, int> = 0>
380 121352 Scalar conductiveEnergyFlux_(Dune::index_constant<i> domainI,
381 Dune::index_constant<j> domainJ,
382 const FVElementGeometry<i>& fvGeometryI,
383 const FVElementGeometry<j>& fvGeometryJ,
384 const SubControlVolumeFace<i>& scvfI,
385 const SubControlVolume<i>& scvI,
386 const SubControlVolume<j>& scvJ,
387 const VolumeVariables<i>& volVarsI,
388 const VolumeVariables<j>& volVarsJ,
389 const DiffusionCoefficientAveragingType diffCoeffAvgType) const
390 {
391 121352 const Scalar insideDistance = getDistance_(scvI, scvfI);
392 121352 const Scalar outsideDistance = getDistance_(scvJ, scvfI);
393
394 121352 const Scalar deltaT = volVarsJ.temperature() - volVarsI.temperature();
395 121352 const Scalar tij = transmissibility_(domainI,
396 domainJ,
397 insideDistance,
398 outsideDistance,
399 volVarsI.effectiveThermalConductivity(),
400 volVarsJ.effectiveThermalConductivity(),
401 diffCoeffAvgType);
402
403 121352 return -tij * deltaT;
404 }
405
406 /*!
407 * \brief Returns the pressure at the interface
408 */
409 template<class ElementFaceVariables, class CouplingContext>
410 222242 Scalar pressureAtInterface_(const Element<stokesIdx>& element,
411 const SubControlVolumeFace<stokesIdx>& scvf,
412 const ElementFaceVariables& elemFaceVars,
413 const CouplingContext& context) const
414 {
415 222242 GlobalPosition<stokesIdx> velocity(0.0);
416 222242 velocity[scvf.directionIndex()] = elemFaceVars[scvf].velocitySelf();
417 222242 const auto& darcyScvf = context.fvGeometry.scvf(context.darcyScvfIdx);
418 222242 return computeCouplingPhasePressureAtInterface_(context.element, context.fvGeometry, darcyScvf, context.volVars, velocity, AdvectionType());
419 }
420
421 /*!
422 * \brief Returns the pressure at the interface using Forchheimers's law for reconstruction
423 */
424 Scalar computeCouplingPhasePressureAtInterface_(const Element<darcyIdx>& element,
425 const FVElementGeometry<darcyIdx>& fvGeometry,
426 const SubControlVolumeFace<darcyIdx>& scvf,
427 const VolumeVariables<darcyIdx>& volVars,
428 const typename Element<stokesIdx>::Geometry::GlobalCoordinate& couplingPhaseVelocity,
429 ForchheimersLaw) const
430 {
431 const auto darcyPhaseIdx = couplingPhaseIdx(darcyIdx);
432 const Scalar cellCenterPressure = volVars.pressure(darcyPhaseIdx);
433 using std::sqrt;
434
435 // v + (cF*sqrt(K)*rho/mu*|v|) * v = - K/mu grad(p - rho g)
436 // multiplying with n and using a tpfa for the right-hand side yields
437 // v*n + (cF*sqrt(K)*rho/mu*|v|) * (v*n) = 1/mu * (ti*(p_center - p_interface) + rho*n^TKg)
438 // --> p_interface = (-mu*v*n + (cF*sqrt(K)*rho*|v|) * (-v*n) + rho*n^TKg)/ti + p_center
439 const auto velocity = couplingPhaseVelocity;
440 const Scalar mu = volVars.viscosity(darcyPhaseIdx);
441 const Scalar rho = volVars.density(darcyPhaseIdx);
442 const auto K = volVars.permeability();
443 const auto alpha = vtmv(scvf.unitOuterNormal(), K, couplingManager_.problem(darcyIdx).spatialParams().gravity(scvf.center()));
444
445 const auto& insideScv = fvGeometry.scv(scvf.insideScvIdx());
446 const auto ti = computeTpfaTransmissibility(scvf, insideScv, K, 1.0);
447
448 // get the Forchheimer coefficient
449 Scalar cF = couplingManager_.problem(darcyIdx).spatialParams().forchCoeff(scvf);
450
451 const Scalar interfacePressure = ((-mu*(scvf.unitOuterNormal() * velocity))
452 + (-(scvf.unitOuterNormal() * velocity) * velocity.two_norm() * rho * sqrt(darcyPermeability(element, scvf)) * cF)
453 + rho * alpha)/ti + cellCenterPressure;
454 return interfacePressure;
455 }
456
457 /*!
458 * \brief Returns the pressure at the interface using Darcy's law for reconstruction
459 */
460 222242 Scalar computeCouplingPhasePressureAtInterface_(const Element<darcyIdx>& element,
461 const FVElementGeometry<darcyIdx>& fvGeometry,
462 const SubControlVolumeFace<darcyIdx>& scvf,
463 const VolumeVariables<darcyIdx>& volVars,
464 const typename Element<stokesIdx>::Geometry::GlobalCoordinate& couplingPhaseVelocity,
465 DarcysLaw) const
466 {
467
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222242 const auto darcyPhaseIdx = couplingPhaseIdx(darcyIdx);
468
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222242 const Scalar couplingPhaseCellCenterPressure = volVars.pressure(darcyPhaseIdx);
469
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222242 const Scalar couplingPhaseMobility = volVars.mobility(darcyPhaseIdx);
470 222242 const Scalar couplingPhaseDensity = volVars.density(darcyPhaseIdx);
471 222242 const auto K = volVars.permeability();
472
473 // A tpfa approximation yields (works if mobility != 0)
474 // v*n = -kr/mu*K * (gradP - rho*g)*n = mobility*(ti*(p_center - p_interface) + rho*n^TKg)
475 // -> p_interface = (1/mobility * (-v*n) + rho*n^TKg)/ti + p_center
476 // where v is the free-flow velocity (couplingPhaseVelocity)
477
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399530 const auto alpha = vtmv(scvf.unitOuterNormal(), K, couplingManager_.problem(darcyIdx).spatialParams().gravity(scvf.center()));
478
479
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222242 const auto& insideScv = fvGeometry.scv(scvf.insideScvIdx());
480 222242 const auto ti = computeTpfaTransmissibility(fvGeometry, scvf, insideScv, K, 1.0);
481
482 222242 return (-1/couplingPhaseMobility * (scvf.unitOuterNormal() * couplingPhaseVelocity) + couplingPhaseDensity * alpha)/ti
483 222242 + couplingPhaseCellCenterPressure;
484 }
485
486
487 private:
488 const CouplingManager& couplingManager_;
489
490 };
491
492 /*!
493 * \ingroup StokesDarcyCoupling
494 * \brief Coupling data specialization for non-compositional models.
495 */
496 template<class MDTraits, class CouplingManager, bool enableEnergyBalance>
497 class StokesDarcyCouplingDataImplementation<MDTraits, CouplingManager, enableEnergyBalance, false>
498 : public StokesDarcyCouplingDataImplementationBase<MDTraits, CouplingManager>
499 {
500 using ParentType = StokesDarcyCouplingDataImplementationBase<MDTraits, CouplingManager>;
501 using Scalar = typename MDTraits::Scalar;
502 static constexpr auto stokesIdx = CouplingManager::stokesIdx;
503 static constexpr auto darcyIdx = CouplingManager::darcyIdx;
504 static constexpr auto stokesFaceIdx = CouplingManager::stokesFaceIdx;
505 static constexpr auto stokesCellCenterIdx = CouplingManager::stokesCellCenterIdx;
506
507 // the sub domain type tags
508 template<std::size_t id>
509 using SubDomainTypeTag = typename MDTraits::template SubDomain<id>::TypeTag;
510
511 template<std::size_t id> using GridGeometry = GetPropType<SubDomainTypeTag<id>, Properties::GridGeometry>;
512 template<std::size_t id> using Element = typename GridGeometry<id>::GridView::template Codim<0>::Entity;
513 template<std::size_t id> using FVElementGeometry = typename GridGeometry<id>::LocalView;
514 template<std::size_t id> using SubControlVolumeFace = typename GridGeometry<id>::LocalView::SubControlVolumeFace;
515 template<std::size_t id> using SubControlVolume = typename GridGeometry<id>::LocalView::SubControlVolume;
516 template<std::size_t id> using Indices = typename GetPropType<SubDomainTypeTag<id>, Properties::ModelTraits>::Indices;
517 template<std::size_t id> using ElementVolumeVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridVolumeVariables>::LocalView;
518 template<std::size_t id> using ElementFaceVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridFaceVariables>::LocalView;
519 template<std::size_t id> using VolumeVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridVolumeVariables>::VolumeVariables;
520
521 static_assert(GetPropType<SubDomainTypeTag<darcyIdx>, Properties::ModelTraits>::numFluidComponents() == GetPropType<SubDomainTypeTag<darcyIdx>, Properties::ModelTraits>::numFluidPhases(),
522 "Darcy Model must not be compositional");
523
524 using DiffusionCoefficientAveragingType = typename StokesDarcyCouplingOptions::DiffusionCoefficientAveragingType;
525
526 public:
527 9 using ParentType::ParentType;
528 using ParentType::couplingPhaseIdx;
529
530 /*!
531 * \brief Returns the mass flux across the coupling boundary as seen from the Darcy domain.
532 */
533 25500 Scalar massCouplingCondition(const Element<darcyIdx>& element,
534 const FVElementGeometry<darcyIdx>& fvGeometry,
535 const ElementVolumeVariables<darcyIdx>& darcyElemVolVars,
536 const SubControlVolumeFace<darcyIdx>& scvf) const
537 {
538 25500 const auto& darcyContext = this->couplingManager().darcyCouplingContext(element, scvf);
539 51000 const Scalar velocity = darcyContext.velocity * scvf.unitOuterNormal();
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25500 const Scalar darcyDensity = darcyElemVolVars[scvf.insideScvIdx()].density(couplingPhaseIdx(darcyIdx));
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25500 const Scalar stokesDensity = darcyContext.volVars.density();
542 25500 const bool insideIsUpstream = velocity > 0.0;
543
544 51000 return massFlux_(velocity, darcyDensity, stokesDensity, insideIsUpstream);
545 }
546
547 /*!
548 * \brief Returns the mass flux across the coupling boundary as seen from the free-flow domain.
549 */
550 85796 Scalar massCouplingCondition(const Element<stokesIdx>& element,
551 const FVElementGeometry<stokesIdx>& fvGeometry,
552 const ElementVolumeVariables<stokesIdx>& stokesElemVolVars,
553 const ElementFaceVariables<stokesIdx>& stokesElemFaceVars,
554 const SubControlVolumeFace<stokesIdx>& scvf) const
555 {
556 85796 const auto& stokesContext = this->couplingManager().stokesCouplingContext(element, scvf);
557 85796 const Scalar velocity = stokesElemFaceVars[scvf].velocitySelf();
558
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85796 const Scalar stokesDensity = stokesElemVolVars[scvf.insideScvIdx()].density();
559
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85796 const Scalar darcyDensity = stokesContext.volVars.density(couplingPhaseIdx(darcyIdx));
560
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85796 const bool insideIsUpstream = sign(velocity) == scvf.directionSign();
561
562 171592 return massFlux_(velocity * scvf.directionSign(), stokesDensity, darcyDensity, insideIsUpstream);
563 }
564
565 /*!
566 * \brief Returns the energy flux across the coupling boundary as seen from the Darcy domain.
567 */
568 template<bool isNI = enableEnergyBalance, typename std::enable_if_t<isNI, int> = 0>
569 Scalar energyCouplingCondition(const Element<darcyIdx>& element,
570 const FVElementGeometry<darcyIdx>& fvGeometry,
571 const ElementVolumeVariables<darcyIdx>& darcyElemVolVars,
572 const SubControlVolumeFace<darcyIdx>& scvf,
573 const DiffusionCoefficientAveragingType diffCoeffAvgType = DiffusionCoefficientAveragingType::ffOnly) const
574 {
575 const auto& darcyContext = this->couplingManager().darcyCouplingContext(element, scvf);
576 const auto& darcyVolVars = darcyElemVolVars[scvf.insideScvIdx()];
577 const auto& stokesVolVars = darcyContext.volVars;
578
579 const Scalar velocity = darcyContext.velocity * scvf.unitOuterNormal();
580 const bool insideIsUpstream = velocity > 0.0;
581
582 return energyFlux_(darcyIdx, stokesIdx, fvGeometry, darcyContext.fvGeometry, scvf,
583 darcyVolVars, stokesVolVars, velocity, insideIsUpstream, diffCoeffAvgType);
584 }
585
586 /*!
587 * \brief Returns the energy flux across the coupling boundary as seen from the free-flow domain.
588 */
589 template<bool isNI = enableEnergyBalance, typename std::enable_if_t<isNI, int> = 0>
590 Scalar energyCouplingCondition(const Element<stokesIdx>& element,
591 const FVElementGeometry<stokesIdx>& fvGeometry,
592 const ElementVolumeVariables<stokesIdx>& stokesElemVolVars,
593 const ElementFaceVariables<stokesIdx>& stokesElemFaceVars,
594 const SubControlVolumeFace<stokesIdx>& scvf,
595 const DiffusionCoefficientAveragingType diffCoeffAvgType = DiffusionCoefficientAveragingType::ffOnly) const
596 {
597 const auto& stokesContext = this->couplingManager().stokesCouplingContext(element, scvf);
598 const auto& stokesVolVars = stokesElemVolVars[scvf.insideScvIdx()];
599 const auto& darcyVolVars = stokesContext.volVars;
600
601 const Scalar velocity = stokesElemFaceVars[scvf].velocitySelf();
602 const bool insideIsUpstream = sign(velocity) == scvf.directionSign();
603
604 return energyFlux_(stokesIdx, darcyIdx, fvGeometry, stokesContext.fvGeometry, scvf,
605 stokesVolVars, darcyVolVars, velocity * scvf.directionSign(), insideIsUpstream, diffCoeffAvgType);
606 }
607
608 private:
609
610 /*!
611 * \brief Evaluate the mole/mass flux across the interface.
612 */
613 111296 Scalar massFlux_(const Scalar velocity,
614 const Scalar insideDensity,
615 const Scalar outSideDensity,
616 bool insideIsUpstream) const
617 {
618
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111296 return this->advectiveFlux(insideDensity, outSideDensity, velocity, insideIsUpstream);
619 }
620
621 /*!
622 * \brief Evaluate the energy flux across the interface.
623 */
624 template<std::size_t i, std::size_t j, bool isNI = enableEnergyBalance, typename std::enable_if_t<isNI, int> = 0>
625 Scalar energyFlux_(Dune::index_constant<i> domainI,
626 Dune::index_constant<j> domainJ,
627 const FVElementGeometry<i>& insideFvGeometry,
628 const FVElementGeometry<j>& outsideFvGeometry,
629 const SubControlVolumeFace<i>& scvf,
630 const VolumeVariables<i>& insideVolVars,
631 const VolumeVariables<j>& outsideVolVars,
632 const Scalar velocity,
633 const bool insideIsUpstream,
634 const DiffusionCoefficientAveragingType diffCoeffAvgType) const
635 {
636 Scalar flux(0.0);
637
638 const auto& insideScv = (*scvs(insideFvGeometry).begin());
639 const auto& outsideScv = (*scvs(outsideFvGeometry).begin());
640
641 // convective fluxes
642 const Scalar insideTerm = insideVolVars.density(couplingPhaseIdx(domainI)) * insideVolVars.enthalpy(couplingPhaseIdx(domainI));
643 const Scalar outsideTerm = outsideVolVars.density(couplingPhaseIdx(domainJ)) * outsideVolVars.enthalpy(couplingPhaseIdx(domainJ));
644
645 flux += this->advectiveFlux(insideTerm, outsideTerm, velocity, insideIsUpstream);
646
647 flux += this->conductiveEnergyFlux_(domainI, domainJ, insideFvGeometry, outsideFvGeometry, scvf, insideScv, outsideScv, insideVolVars, outsideVolVars, diffCoeffAvgType);
648
649 return flux;
650 }
651
652 };
653
654 /*!
655 * \ingroup StokesDarcyCoupling
656 * \brief Coupling data specialization for compositional models.
657 */
658 template<class MDTraits, class CouplingManager, bool enableEnergyBalance>
659 class StokesDarcyCouplingDataImplementation<MDTraits, CouplingManager, enableEnergyBalance, true>
660 : public StokesDarcyCouplingDataImplementationBase<MDTraits, CouplingManager>
661 {
662 using ParentType = StokesDarcyCouplingDataImplementationBase<MDTraits, CouplingManager>;
663 using Scalar = typename MDTraits::Scalar;
664 static constexpr auto stokesIdx = CouplingManager::stokesIdx;
665 static constexpr auto darcyIdx = CouplingManager::darcyIdx;
666 static constexpr auto stokesFaceIdx = CouplingManager::stokesFaceIdx;
667 static constexpr auto stokesCellCenterIdx = CouplingManager::stokesCellCenterIdx;
668
669 // the sub domain type tags
670 template<std::size_t id>
671 using SubDomainTypeTag = typename MDTraits::template SubDomain<id>::TypeTag;
672
673 template<std::size_t id> using GridGeometry = GetPropType<SubDomainTypeTag<id>, Properties::GridGeometry>;
674 template<std::size_t id> using Element = typename GridGeometry<id>::GridView::template Codim<0>::Entity;
675 template<std::size_t id> using FVElementGeometry = typename GridGeometry<id>::LocalView;
676 template<std::size_t id> using SubControlVolumeFace = typename FVElementGeometry<id>::SubControlVolumeFace;
677 template<std::size_t id> using SubControlVolume = typename GridGeometry<id>::LocalView::SubControlVolume;
678 template<std::size_t id> using Indices = typename GetPropType<SubDomainTypeTag<id>, Properties::ModelTraits>::Indices;
679 template<std::size_t id> using ElementVolumeVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridVolumeVariables>::LocalView;
680 template<std::size_t id> using ElementFaceVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridFaceVariables>::LocalView;
681 template<std::size_t id> using VolumeVariables = typename GetPropType<SubDomainTypeTag<id>, Properties::GridVolumeVariables>::VolumeVariables;
682 template<std::size_t id> using FluidSystem = GetPropType<SubDomainTypeTag<id>, Properties::FluidSystem>;
683
684 static constexpr auto numComponents = GetPropType<SubDomainTypeTag<stokesIdx>, Properties::ModelTraits>::numFluidComponents();
685 static constexpr auto replaceCompEqIdx = GetPropType<SubDomainTypeTag<stokesIdx>, Properties::ModelTraits>::replaceCompEqIdx();
686 static constexpr bool useMoles = GetPropType<SubDomainTypeTag<stokesIdx>, Properties::ModelTraits>::useMoles();
687 static constexpr auto referenceSystemFormulation = GetPropType<SubDomainTypeTag<stokesIdx>, Properties::MolecularDiffusionType>::referenceSystemFormulation();
688
689 static_assert(GetPropType<SubDomainTypeTag<darcyIdx>, Properties::ModelTraits>::numFluidComponents() == numComponents, "Both submodels must use the same number of components");
690 static_assert(getPropValue<SubDomainTypeTag<darcyIdx>, Properties::UseMoles>() == useMoles, "Both submodels must either use moles or not");
691 static_assert(getPropValue<SubDomainTypeTag<darcyIdx>, Properties::ReplaceCompEqIdx>() == replaceCompEqIdx, "Both submodels must use the same replaceCompEqIdx");
692 static_assert(GetPropType<SubDomainTypeTag<darcyIdx>, Properties::MolecularDiffusionType>::referenceSystemFormulation() == referenceSystemFormulation,
693 "Both submodels must use the same reference system formulation for diffusion");
694
695 using NumEqVector = Dune::FieldVector<Scalar, numComponents>;
696
697 using DiffusionCoefficientAveragingType = typename StokesDarcyCouplingOptions::DiffusionCoefficientAveragingType;
698
699 static constexpr bool isFicksLaw = IsFicksLaw<GetPropType<SubDomainTypeTag<stokesIdx>, Properties::MolecularDiffusionType>>();
700 static_assert(isFicksLaw == IsFicksLaw<GetPropType<SubDomainTypeTag<darcyIdx>, Properties::MolecularDiffusionType>>(),
701 "Both submodels must use the same diffusion law.");
702
703 using ReducedComponentVector = Dune::FieldVector<Scalar, numComponents-1>;
704 using ReducedComponentMatrix = Dune::FieldMatrix<Scalar, numComponents-1, numComponents-1>;
705
706 using MolecularDiffusionType = GetPropType<SubDomainTypeTag<stokesIdx>, Properties::MolecularDiffusionType>;
707 public:
708 8 using ParentType::ParentType;
709 using ParentType::couplingPhaseIdx;
710 using ParentType::couplingCompIdx;
711
712 /*!
713 * \brief Returns the mass flux across the coupling boundary as seen from the Darcy domain.
714 */
715 67424 NumEqVector massCouplingCondition(const Element<darcyIdx>& element,
716 const FVElementGeometry<darcyIdx>& fvGeometry,
717 const ElementVolumeVariables<darcyIdx>& darcyElemVolVars,
718 const SubControlVolumeFace<darcyIdx>& scvf,
719 const DiffusionCoefficientAveragingType diffCoeffAvgType = DiffusionCoefficientAveragingType::ffOnly) const
720 {
721 67424 const auto& darcyContext = this->couplingManager().darcyCouplingContext(element, scvf);
722 67424 const auto& darcyVolVars = darcyElemVolVars[scvf.insideScvIdx()];
723 67424 const auto& stokesVolVars = darcyContext.volVars;
724 67424 const auto& outsideScv = (*scvs(darcyContext.fvGeometry).begin());
725
726 67424 const Scalar velocity = darcyContext.velocity * scvf.unitOuterNormal();
727 67424 const bool insideIsUpstream = velocity > 0.0;
728
729 67424 return massFlux_(darcyIdx, stokesIdx, fvGeometry,
730 scvf, darcyVolVars, stokesVolVars,
731 outsideScv, velocity, insideIsUpstream,
732 67424 diffCoeffAvgType);
733 }
734
735 /*!
736 * \brief Returns the mass flux across the coupling boundary as seen from the free-flow domain.
737 */
738 260974 NumEqVector massCouplingCondition(const Element<stokesIdx>& element,
739 const FVElementGeometry<stokesIdx>& fvGeometry,
740 const ElementVolumeVariables<stokesIdx>& stokesElemVolVars,
741 const ElementFaceVariables<stokesIdx>& stokesElemFaceVars,
742 const SubControlVolumeFace<stokesIdx>& scvf,
743 const DiffusionCoefficientAveragingType diffCoeffAvgType = DiffusionCoefficientAveragingType::ffOnly) const
744 {
745 260974 const auto& stokesContext = this->couplingManager().stokesCouplingContext(element, scvf);
746 260974 const auto& stokesVolVars = stokesElemVolVars[scvf.insideScvIdx()];
747 260974 const auto& darcyVolVars = stokesContext.volVars;
748 260974 const auto& outsideScv = (*scvs(stokesContext.fvGeometry).begin());
749
750 260974 const Scalar velocity = stokesElemFaceVars[scvf].velocitySelf();
751 260974 const bool insideIsUpstream = sign(velocity) == scvf.directionSign();
752
753 260974 return massFlux_(stokesIdx, darcyIdx, fvGeometry,
754 scvf, stokesVolVars, darcyVolVars,
755 260974 outsideScv, velocity * scvf.directionSign(),
756 260974 insideIsUpstream, diffCoeffAvgType);
757 }
758
759 /*!
760 * \brief Returns the energy flux across the coupling boundary as seen from the Darcy domain.
761 */
762 template<bool isNI = enableEnergyBalance, typename std::enable_if_t<isNI, int> = 0>
763 12320 Scalar energyCouplingCondition(const Element<darcyIdx>& element,
764 const FVElementGeometry<darcyIdx>& fvGeometry,
765 const ElementVolumeVariables<darcyIdx>& darcyElemVolVars,
766 const SubControlVolumeFace<darcyIdx>& scvf,
767 const DiffusionCoefficientAveragingType diffCoeffAvgType = DiffusionCoefficientAveragingType::ffOnly) const
768 {
769 12320 const auto& darcyContext = this->couplingManager().darcyCouplingContext(element, scvf);
770 12320 const auto& darcyVolVars = darcyElemVolVars[scvf.insideScvIdx()];
771 12320 const auto& stokesVolVars = darcyContext.volVars;
772
773 12320 const Scalar velocity = darcyContext.velocity * scvf.unitOuterNormal();
774 12320 const bool insideIsUpstream = velocity > 0.0;
775
776 12320 return energyFlux_(darcyIdx, stokesIdx, fvGeometry, darcyContext.fvGeometry, scvf,
777 12320 darcyVolVars, stokesVolVars, velocity, insideIsUpstream, diffCoeffAvgType);
778 }
779
780 /*!
781 * \brief Returns the energy flux across the coupling boundary as seen from the free-flow domain.
782 */
783 template<bool isNI = enableEnergyBalance, typename std::enable_if_t<isNI, int> = 0>
784 48356 Scalar energyCouplingCondition(const Element<stokesIdx>& element,
785 const FVElementGeometry<stokesIdx>& fvGeometry,
786 const ElementVolumeVariables<stokesIdx>& stokesElemVolVars,
787 const ElementFaceVariables<stokesIdx>& stokesElemFaceVars,
788 const SubControlVolumeFace<stokesIdx>& scvf,
789 const DiffusionCoefficientAveragingType diffCoeffAvgType = DiffusionCoefficientAveragingType::ffOnly) const
790 {
791 48356 const auto& stokesContext = this->couplingManager().stokesCouplingContext(element, scvf);
792 48356 const auto& stokesVolVars = stokesElemVolVars[scvf.insideScvIdx()];
793 48356 const auto& darcyVolVars = stokesContext.volVars;
794
795 48356 const Scalar velocity = stokesElemFaceVars[scvf].velocitySelf();
796 48356 const bool insideIsUpstream = sign(velocity) == scvf.directionSign();
797
798 48356 return energyFlux_(stokesIdx, darcyIdx, fvGeometry, stokesContext.fvGeometry, scvf,
799 48356 stokesVolVars, darcyVolVars, velocity * scvf.directionSign(), insideIsUpstream, diffCoeffAvgType);
800 }
801
802 protected:
803
804 /*!
805 * \brief Evaluate the compositional mole/mass flux across the interface.
806 */
807 template<std::size_t i, std::size_t j>
808 656796 NumEqVector massFlux_(Dune::index_constant<i> domainI,
809 Dune::index_constant<j> domainJ,
810 const FVElementGeometry<i>& insideFvGeometry,
811 const SubControlVolumeFace<i>& scvf,
812 const VolumeVariables<i>& insideVolVars,
813 const VolumeVariables<j>& outsideVolVars,
814 const SubControlVolume<j>& outsideScv,
815 const Scalar velocity,
816 const bool insideIsUpstream,
817 const DiffusionCoefficientAveragingType diffCoeffAvgType) const
818 {
819 656796 NumEqVector flux(0.0);
820 656796 NumEqVector diffusiveFlux(0.0);
821
822 1912352 auto moleOrMassFraction = [&](const auto& volVars, int phaseIdx, int compIdx)
823 1912352 { return useMoles ? volVars.moleFraction(phaseIdx, compIdx) : volVars.massFraction(phaseIdx, compIdx); };
824
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1912352 auto moleOrMassDensity = [&](const auto& volVars, int phaseIdx)
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1912352 { return useMoles ? volVars.molarDensity(phaseIdx) : volVars.density(phaseIdx); };
827
828 // treat the advective fluxes
829 1973732 auto insideTerm = [&](int compIdx)
830
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1316936 { return moleOrMassFraction(insideVolVars, couplingPhaseIdx(domainI), compIdx) * moleOrMassDensity(insideVolVars, couplingPhaseIdx(domainI)); };
831
832 1682156 auto outsideTerm = [&](int compIdx)
833
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1025360 { return moleOrMassFraction(outsideVolVars, couplingPhaseIdx(domainJ), compIdx) * moleOrMassDensity(outsideVolVars, couplingPhaseIdx(domainJ)); };
834
835
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2075012 for (int compIdx = 0; compIdx < numComponents; ++compIdx)
837 {
838
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1418216 const int domainICompIdx = couplingCompIdx(domainI, compIdx);
839 1418216 const int domainJCompIdx = couplingCompIdx(domainJ, compIdx);
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2836432 flux[domainICompIdx] += this->advectiveFlux(insideTerm(domainICompIdx), outsideTerm(domainJCompIdx), velocity, insideIsUpstream);
841 }
842
843 // treat the diffusive fluxes
844
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656796 const auto& insideScv = insideFvGeometry.scv(scvf.insideScvIdx());
845
846 if (isFicksLaw)
847 488972 diffusiveFlux += diffusiveMolecularFluxFicksLaw_(domainI, domainJ, scvf, insideScv, outsideScv, insideVolVars, outsideVolVars, diffCoeffAvgType);
848 else //maxwell stefan
849 167824 diffusiveFlux += diffusiveMolecularFluxMaxwellStefan_(domainI, domainJ, scvf, insideScv, outsideScv, insideVolVars, outsideVolVars);
850
851 //convert to correct units if necessary
852 if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged && useMoles)
853 {
854
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855 {
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1418216 const int domainICompIdx = couplingCompIdx(domainI, compIdx);
857 1418216 diffusiveFlux[domainICompIdx] *= 1/FluidSystem<i>::molarMass(domainICompIdx);
858 }
859 }
860 if (referenceSystemFormulation == ReferenceSystemFormulation::molarAveraged && !useMoles)
861 {
862 for (int compIdx = 0; compIdx < numComponents; ++compIdx)
863 {
864 const int domainICompIdx = couplingCompIdx(domainI, compIdx);
865 diffusiveFlux[domainICompIdx] *= FluidSystem<i>::molarMass(domainICompIdx);
866 }
867 }
868
869 656796 flux += diffusiveFlux;
870 // convert to total mass/mole balance, if set be user
871 if (replaceCompEqIdx < numComponents)
872 flux[replaceCompEqIdx] = std::accumulate(flux.begin(), flux.end(), 0.0);
873
874 656796 return flux;
875 }
876
877 60676 Scalar getComponentEnthalpy(const VolumeVariables<stokesIdx>& volVars, int phaseIdx, int compIdx) const
878 {
879 60676 return FluidSystem<stokesIdx>::componentEnthalpy(volVars.fluidState(), 0, compIdx);
880 }
881
882 60676 Scalar getComponentEnthalpy(const VolumeVariables<darcyIdx>& volVars, int phaseIdx, int compIdx) const
883 {
884 60676 return FluidSystem<darcyIdx>::componentEnthalpy(volVars.fluidState(), phaseIdx, compIdx);
885 }
886
887 /*!
888 * \brief Evaluate the diffusive mole/mass flux across the interface.
889 */
890 template<std::size_t i, std::size_t j>
891 83912 NumEqVector diffusiveMolecularFluxMaxwellStefan_(Dune::index_constant<i> domainI,
892 Dune::index_constant<j> domainJ,
893 const SubControlVolumeFace<i>& scvfI,
894 const SubControlVolume<i>& scvI,
895 const SubControlVolume<j>& scvJ,
896 const VolumeVariables<i>& volVarsI,
897 const VolumeVariables<j>& volVarsJ) const
898 {
899 83912 NumEqVector diffusiveFlux(0.0);
900
901 83912 const Scalar insideDistance = this->getDistance_(scvI, scvfI);
902 83912 const Scalar outsideDistance = this->getDistance_(scvJ, scvfI);
903
904 83912 ReducedComponentVector moleFracInside(0.0);
905 83912 ReducedComponentVector moleFracOutside(0.0);
906 83912 ReducedComponentVector reducedFlux(0.0);
907 83912 ReducedComponentMatrix reducedDiffusionMatrixInside(0.0);
908 83912 ReducedComponentMatrix reducedDiffusionMatrixOutside(0.0);
909
910 //calculate the mole fraction vectors
911 220136 for (int compIdx = 0; compIdx < numComponents-1; compIdx++)
912 {
913 136224 const int domainICompIdx = couplingCompIdx(domainI, compIdx);
914 136224 const int domainJCompIdx = couplingCompIdx(domainJ, compIdx);
915
916 272448 assert(FluidSystem<i>::componentName(domainICompIdx) == FluidSystem<j>::componentName(domainJCompIdx));
917
918 //calculate x_inside
919 136224 const Scalar xInside = volVarsI.moleFraction(couplingPhaseIdx(domainI), domainICompIdx);
920 //calculate outside molefraction with the respective transmissibility
921 136224 const Scalar xOutside = volVarsJ.moleFraction(couplingPhaseIdx(domainJ), domainJCompIdx);
922 136224 moleFracInside[domainICompIdx] = xInside;
923 136224 moleFracOutside[domainICompIdx] = xOutside;
924 }
925
926 //now we have to do the tpfa: J_i = -J_j which leads to: J_i = -rho_i Bi^-1 omegai(x*-xi) with x* = (omegai rho_i Bi^-1 + omegaj rho_j Bj^-1)^-1 (xi omegai rho_i Bi^-1 + xj omegaj rho_j Bj^-1) with i inside and j outside.
927
928 //first set up the matrices containing the binary diffusion coefficients and mole fractions
929
930 //inside matrix. KIdx and LIdx are the indices for the k and l-th component, N for the n-th component
931 220136 for (int compKIdx = 0; compKIdx < numComponents-1; compKIdx++)
932 {
933 136224 const int domainICompKIdx = couplingCompIdx(domainI, compKIdx);
934 136224 const Scalar xk = volVarsI.moleFraction(couplingPhaseIdx(domainI), domainICompKIdx);
935 136224 const Scalar avgMolarMass = volVarsI.averageMolarMass(couplingPhaseIdx(domainI));
936 136224 const Scalar Mn = FluidSystem<i>::molarMass(numComponents-1);
937 136224 const Scalar tkn = volVarsI.effectiveDiffusionCoefficient(couplingPhaseIdx(domainI), domainICompKIdx, couplingCompIdx(domainI, numComponents-1));
938
939 // set the entries of the diffusion matrix of the diagonal
940 136224 reducedDiffusionMatrixInside[domainICompKIdx][domainICompKIdx] += xk*avgMolarMass/(tkn*Mn);
941
942 513296 for (int compLIdx = 0; compLIdx < numComponents; compLIdx++)
943 {
944 377072 const int domainICompLIdx = couplingCompIdx(domainI, compLIdx);
945
946 // we don't want to calculate e.g. water in water diffusion
947 377072 if (domainICompKIdx == domainICompLIdx)
948 136224 continue;
949
950 240848 const Scalar xl = volVarsI.moleFraction(couplingPhaseIdx(domainI), domainICompLIdx);
951 240848 const Scalar Mk = FluidSystem<i>::molarMass(domainICompKIdx);
952 240848 const Scalar Ml = FluidSystem<i>::molarMass(domainICompLIdx);
953 240848 const Scalar tkl = volVarsI.effectiveDiffusionCoefficient(couplingPhaseIdx(domainI), domainICompKIdx, domainICompLIdx);
954 240848 reducedDiffusionMatrixInside[domainICompKIdx][domainICompKIdx] += xl*avgMolarMass/(tkl*Mk);
955
956 209248 if (domainICompLIdx < numComponents-1)
957 104624 reducedDiffusionMatrixInside[domainICompKIdx][domainICompLIdx] += xk*(avgMolarMass/(tkn*Mn) - avgMolarMass/(tkl*Ml));
958 }
959 }
960 //outside matrix
961 220136 for (int compKIdx = 0; compKIdx < numComponents-1; compKIdx++)
962 {
963 136224 const int domainJCompKIdx = couplingCompIdx(domainJ, compKIdx);
964 136224 const int domainICompKIdx = couplingCompIdx(domainI, compKIdx);
965
966 136224 const Scalar xk = volVarsJ.moleFraction(couplingPhaseIdx(domainJ), domainJCompKIdx);
967 136224 const Scalar avgMolarMass = volVarsJ.averageMolarMass(couplingPhaseIdx(domainJ));
968 136224 const Scalar Mn = FluidSystem<j>::molarMass(numComponents-1);
969 136224 const Scalar tkn = volVarsJ.effectiveDiffusionCoefficient(couplingPhaseIdx(domainJ), domainJCompKIdx, couplingCompIdx(domainJ, numComponents-1));
970
971 // set the entries of the diffusion matrix of the diagonal
972 136224 reducedDiffusionMatrixOutside[domainICompKIdx][domainICompKIdx] += xk*avgMolarMass/(tkn*Mn);
973
974 513296 for (int compLIdx = 0; compLIdx < numComponents; compLIdx++)
975 {
976 377072 const int domainJCompLIdx = couplingCompIdx(domainJ, compLIdx);
977 377072 const int domainICompLIdx = couplingCompIdx(domainI, compLIdx);
978
979 // we don't want to calculate e.g. water in water diffusion
980 377072 if (domainJCompLIdx == domainJCompKIdx)
981 136224 continue;
982
983 240848 const Scalar xl = volVarsJ.moleFraction(couplingPhaseIdx(domainJ), domainJCompLIdx);
984 240848 const Scalar Mk = FluidSystem<j>::molarMass(domainJCompKIdx);
985 240848 const Scalar Ml = FluidSystem<j>::molarMass(domainJCompLIdx);
986 240848 const Scalar tkl = volVarsJ.effectiveDiffusionCoefficient(couplingPhaseIdx(domainJ), domainJCompKIdx, domainJCompLIdx);
987 240848 reducedDiffusionMatrixOutside[domainICompKIdx][domainICompKIdx] += xl*avgMolarMass/(tkl*Mk);
988
989 209248 if (domainICompLIdx < numComponents-1)
990 104624 reducedDiffusionMatrixOutside[domainICompKIdx][domainICompLIdx] += xk*(avgMolarMass/(tkn*Mn) - avgMolarMass/(tkl*Ml));
991 }
992 }
993
994 83912 const Scalar omegai = 1/insideDistance;
995 83912 const Scalar omegaj = 1/outsideDistance;
996
997 83912 reducedDiffusionMatrixInside.invert();
998 136224 reducedDiffusionMatrixInside *= omegai*volVarsI.density(couplingPhaseIdx(domainI));
999 83912 reducedDiffusionMatrixOutside.invert();
1000 83912 reducedDiffusionMatrixOutside *= omegaj*volVarsJ.density(couplingPhaseIdx(domainJ));
1001
1002 //in the helpervector we store the values for x*
1003 83912 ReducedComponentVector helperVector(0.0);
1004 83912 ReducedComponentVector gradientVectori(0.0);
1005 83912 ReducedComponentVector gradientVectorj(0.0);
1006
1007 220136 reducedDiffusionMatrixInside.mv(moleFracInside, gradientVectori);
1008 83912 reducedDiffusionMatrixOutside.mv(moleFracOutside, gradientVectorj);
1009
1010 83912 auto gradientVectorij = (gradientVectori + gradientVectorj);
1011
1012 //add the two matrixes to each other
1013 83912 reducedDiffusionMatrixOutside += reducedDiffusionMatrixInside;
1014
1015 83912 reducedDiffusionMatrixOutside.solve(helperVector, gradientVectorij);
1016
1017 //Bi^-1 omegai rho_i (x*-xi). As we previously multiplied rho_i and omega_i with the insidematrix, this does not need to be done again
1018 220136 helperVector -=moleFracInside;
1019 220136 reducedDiffusionMatrixInside.mv(helperVector, reducedFlux);
1020
1021 220136 reducedFlux *= -1;
1022
1023 220136 for (int compIdx = 0; compIdx < numComponents-1; compIdx++)
1024 {
1025 136224 const int domainICompIdx = couplingCompIdx(domainI, compIdx);
1026 136224 diffusiveFlux[domainICompIdx] = reducedFlux[domainICompIdx];
1027 136224 diffusiveFlux[couplingCompIdx(domainI, numComponents-1)] -= reducedFlux[domainICompIdx];
1028 }
1029 83912 return diffusiveFlux;
1030 }
1031
1032 template<std::size_t i, std::size_t j>
1033 426514 NumEqVector diffusiveMolecularFluxFicksLaw_(Dune::index_constant<i> domainI,
1034 Dune::index_constant<j> domainJ,
1035 const SubControlVolumeFace<i>& scvfI,
1036 const SubControlVolume<i>& scvI,
1037 const SubControlVolume<j>& scvJ,
1038 const VolumeVariables<i>& volVarsI,
1039 const VolumeVariables<j>& volVarsJ,
1040 const DiffusionCoefficientAveragingType diffCoeffAvgType) const
1041 {
1042 426514 NumEqVector diffusiveFlux(0.0);
1043
1044 426514 const Scalar rhoInside = massOrMolarDensity(volVarsI, referenceSystemFormulation, couplingPhaseIdx(domainI));
1045 426514 const Scalar rhoOutside = massOrMolarDensity(volVarsJ, referenceSystemFormulation, couplingPhaseIdx(domainJ));
1046 426514 const Scalar avgDensity = 0.5 * rhoInside + 0.5 * rhoOutside;
1047
1048 426514 const Scalar insideDistance = this->getDistance_(scvI, scvfI);
1049 426514 const Scalar outsideDistance = this->getDistance_(scvJ, scvfI);
1050
1051
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853028 for (int compIdx = 1; compIdx < numComponents; ++compIdx)
1052 {
1053 426514 const int domainIMainCompIdx = couplingPhaseIdx(domainI);
1054 426514 const int domainJMainCompIdx = couplingPhaseIdx(domainJ);
1055 426514 const int domainICompIdx = couplingCompIdx(domainI, compIdx);
1056 367570 const int domainJCompIdx = couplingCompIdx(domainJ, compIdx);
1057
1058
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1083598 assert(FluidSystem<i>::componentName(domainICompIdx) == FluidSystem<j>::componentName(domainJCompIdx));
1059
1060 426514 const Scalar massOrMoleFractionInside = massOrMoleFraction(volVarsI, referenceSystemFormulation, couplingPhaseIdx(domainI), domainICompIdx);
1061 426514 const Scalar massOrMoleFractionOutside = massOrMoleFraction(volVarsJ, referenceSystemFormulation, couplingPhaseIdx(domainJ), domainJCompIdx);
1062
1063 426514 const Scalar deltaMassOrMoleFrac = massOrMoleFractionOutside - massOrMoleFractionInside;
1064 426514 const Scalar tij = this->transmissibility_(domainI,
1065 domainJ,
1066 insideDistance,
1067 outsideDistance,
1068 volVarsI.effectiveDiffusionCoefficient(couplingPhaseIdx(domainI), domainIMainCompIdx, domainICompIdx),
1069 volVarsJ.effectiveDiffusionCoefficient(couplingPhaseIdx(domainJ), domainJMainCompIdx, domainJCompIdx),
1070 diffCoeffAvgType);
1071 426514 diffusiveFlux[domainICompIdx] += -avgDensity * tij * deltaMassOrMoleFrac;
1072 }
1073
1074 426514 const Scalar cumulativeFlux = std::accumulate(diffusiveFlux.begin(), diffusiveFlux.end(), 0.0);
1075 426514 diffusiveFlux[couplingCompIdx(domainI, 0)] = -cumulativeFlux;
1076
1077 426514 return diffusiveFlux;
1078 }
1079
1080 /*!
1081 * \brief Evaluate the energy flux across the interface.
1082 */
1083 template<std::size_t i, std::size_t j, bool isNI = enableEnergyBalance, typename std::enable_if_t<isNI, int> = 0>
1084 60676 Scalar energyFlux_(Dune::index_constant<i> domainI,
1085 Dune::index_constant<j> domainJ,
1086 const FVElementGeometry<i>& insideFvGeometry,
1087 const FVElementGeometry<j>& outsideFvGeometry,
1088 const SubControlVolumeFace<i>& scvf,
1089 const VolumeVariables<i>& insideVolVars,
1090 const VolumeVariables<j>& outsideVolVars,
1091 const Scalar velocity,
1092 const bool insideIsUpstream,
1093 const DiffusionCoefficientAveragingType diffCoeffAvgType) const
1094 {
1095 60676 Scalar flux(0.0);
1096
1097 60676 const auto& insideScv = (*scvs(insideFvGeometry).begin());
1098 60676 const auto& outsideScv = (*scvs(outsideFvGeometry).begin());
1099
1100 // convective fluxes
1101 60676 const Scalar insideTerm = insideVolVars.density(couplingPhaseIdx(domainI)) * insideVolVars.enthalpy(couplingPhaseIdx(domainI));
1102 60676 const Scalar outsideTerm = outsideVolVars.density(couplingPhaseIdx(domainJ)) * outsideVolVars.enthalpy(couplingPhaseIdx(domainJ));
1103
1104 60676 flux += this->advectiveFlux(insideTerm, outsideTerm, velocity, insideIsUpstream);
1105
1106 60676 flux += this->conductiveEnergyFlux_(domainI, domainJ, insideFvGeometry, outsideFvGeometry, scvf, insideScv, outsideScv, insideVolVars, outsideVolVars, diffCoeffAvgType);
1107
1108 60676 auto diffusiveFlux = isFicksLaw ? diffusiveMolecularFluxFicksLaw_(domainI, domainJ, scvf, insideScv, outsideScv, insideVolVars, outsideVolVars, diffCoeffAvgType)
1109 : diffusiveMolecularFluxMaxwellStefan_(domainI, domainJ, scvf, insideScv, outsideScv, insideVolVars, outsideVolVars);
1110
1111
1112 182028 for (int compIdx = 0; compIdx < diffusiveFlux.size(); ++compIdx)
1113 {
1114 121352 const int domainICompIdx = couplingCompIdx(domainI, compIdx);
1115 121352 const int domainJCompIdx = couplingCompIdx(domainJ, compIdx);
1116
1117 121352 const bool insideDiffFluxIsUpstream = diffusiveFlux[domainICompIdx] > 0;
1118 121352 const Scalar componentEnthalpy = insideDiffFluxIsUpstream ?
1119 121352 getComponentEnthalpy(insideVolVars, couplingPhaseIdx(domainI), domainICompIdx)
1120 121352 : getComponentEnthalpy(outsideVolVars, couplingPhaseIdx(domainJ), domainJCompIdx);
1121
1122 if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged)
1123 121352 flux += diffusiveFlux[domainICompIdx] * componentEnthalpy;
1124 else
1125 flux += diffusiveFlux[domainICompIdx] * FluidSystem<i>::molarMass(domainICompIdx) * componentEnthalpy;
1126 }
1127
1128 60676 return flux;
1129 }
1130 };
1131
1132 } // end namespace Dumux
1133
1134 #endif
1135