GCC Code Coverage Report


Directory: ../../../builds/dumux-repositories/
File: /builds/dumux-repositories/dumux/dumux/porousmediumflow/co2/volumevariables.hh
Date: 2024-09-21 20:52:54
Exec Total Coverage
Lines: 79 88 89.8%
Functions: 10 15 66.7%
Branches: 59 96 61.5%

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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-FileCopyrightInfo: 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 CO2Model
10 * \brief Contains the quantities which are constant within a
11 * finite volume in the CO2 model.
12 */
13
14 #ifndef DUMUX_CO2_VOLUME_VARIABLES_HH
15 #define DUMUX_CO2_VOLUME_VARIABLES_HH
16
17 #include <array>
18
19 #include <dune/common/exceptions.hh>
20
21 #include <dumux/porousmediumflow/volumevariables.hh>
22 #include <dumux/porousmediumflow/2p/formulation.hh>
23 #include <dumux/porousmediumflow/nonisothermal/volumevariables.hh>
24 #include <dumux/material/solidstates/updatesolidvolumefractions.hh>
25
26 #include "primaryvariableswitch.hh"
27
28 namespace Dumux {
29
30 /*!
31 * \ingroup CO2Model
32 * \brief Contains the quantities which are are constant within a
33 * finite volume in the CO2 model.
34 */
35 template <class Traits>
36
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57797631 class TwoPTwoCCO2VolumeVariables
37 : public PorousMediumFlowVolumeVariables<Traits>
38 , public EnergyVolumeVariables<Traits, TwoPTwoCCO2VolumeVariables<Traits> >
39 {
40 using ParentType = PorousMediumFlowVolumeVariables< Traits>;
41 using EnergyVolVars = EnergyVolumeVariables<Traits, TwoPTwoCCO2VolumeVariables<Traits> >;
42
43 using Scalar = typename Traits::PrimaryVariables::value_type;
44 using ModelTraits = typename Traits::ModelTraits;
45 static constexpr int numFluidComps = ParentType::numFluidComponents();
46
47 // component indices
48 enum
49 {
50 comp0Idx = Traits::FluidSystem::comp0Idx,
51 comp1Idx = Traits::FluidSystem::comp1Idx,
52 phase0Idx = Traits::FluidSystem::phase0Idx,
53 phase1Idx = Traits::FluidSystem::phase1Idx
54 };
55
56 // phase presence indices
57 enum
58 {
59 firstPhaseOnly = ModelTraits::Indices::firstPhaseOnly,
60 secondPhaseOnly = ModelTraits::Indices::secondPhaseOnly,
61 bothPhases = ModelTraits::Indices::bothPhases
62 };
63
64 // primary variable indices
65 enum
66 {
67 switchIdx = ModelTraits::Indices::switchIdx,
68 pressureIdx = ModelTraits::Indices::pressureIdx
69 };
70
71 // formulation
72 static constexpr auto formulation = ModelTraits::priVarFormulation();
73
74 // type used for the permeability
75 using PermeabilityType = typename Traits::PermeabilityType;
76
77 // type used for the diffusion coefficients
78 using EffDiffModel = typename Traits::EffectiveDiffusivityModel;
79 using DiffusionCoefficients = typename Traits::DiffusionType::DiffusionCoefficientsContainer;
80
81 public:
82 //! The type of the object returned by the fluidState() method
83 using FluidState = typename Traits::FluidState;
84 //! The fluid system used here
85 using FluidSystem = typename Traits::FluidSystem;
86 //! Export the indices
87 using Indices = typename ModelTraits::Indices;
88 //! Export type of solid state
89 using SolidState = typename Traits::SolidState;
90 //! Export type of solid system
91 using SolidSystem = typename Traits::SolidSystem;
92 //! Export the type of the primary variable switch
93 using PrimaryVariableSwitch = TwoPTwoCCO2PrimaryVariableSwitch;
94
95
96 //! Return whether moles or masses are balanced
97 static constexpr bool useMoles() { return ModelTraits::useMoles(); }
98 //! Return the two-phase formulation used here
99 static constexpr TwoPFormulation priVarFormulation() { return formulation; }
100
101 // check for permissive combinations
102 static_assert(ModelTraits::numFluidPhases() == 2, "NumPhases set in the model is not two!");
103 static_assert(ModelTraits::numFluidComponents() == 2, "NumComponents set in the model is not two!");
104 static_assert((formulation == TwoPFormulation::p0s1 || formulation == TwoPFormulation::p1s0), "Chosen TwoPFormulation not supported!");
105
106 /*!
107 * \brief Updates all quantities for a given control volume.
108 *
109 * \param elemSol A vector containing all primary variables connected to the element
110 * \param problem The object specifying the problem which ought to
111 * be simulated
112 * \param element An element which contains part of the control volume
113 * \param scv The sub control volume
114 */
115 template<class ElemSol, class Problem, class Element, class Scv>
116 71188461 void update(const ElemSol& elemSol, const Problem& problem, const Element& element, const Scv& scv)
117 {
118 71188461 ParentType::update(elemSol, problem, element, scv);
119 71188461 completeFluidState(elemSol, problem, element, scv, fluidState_, solidState_);
120
121 // Second instance of a parameter cache. Could be avoided if
122 // diffusion coefficients also became part of the fluid state.
123 typename FluidSystem::ParameterCache paramCache;
124 71188461 paramCache.updateAll(fluidState_);
125
126 71188461 const auto& spatialParams = problem.spatialParams();
127 71188461 const auto fluidMatrixInteraction = spatialParams.fluidMatrixInteraction(element, scv, elemSol);
128
129 71188461 const int wPhaseIdx = fluidState_.wettingPhase();
130 71188461 const int nPhaseIdx = 1 - wPhaseIdx;
131
132 // relative permeabilities -> require wetting phase saturation as parameter!
133 71188461 relativePermeability_[wPhaseIdx] = fluidMatrixInteraction.krw(saturation(wPhaseIdx));
134 71188461 relativePermeability_[nPhaseIdx] = fluidMatrixInteraction.krn(saturation(wPhaseIdx));
135
136 // porosity & permeabilty
137 71188461 updateSolidVolumeFractions(elemSol, problem, element, scv, solidState_, numFluidComps);
138 71188461 EnergyVolVars::updateSolidEnergyParams(elemSol, problem, element, scv, solidState_);
139 71188461 permeability_ = spatialParams.permeability(element, scv, elemSol);
140
141 71188461 auto getEffectiveDiffusionCoefficient = [&](int phaseIdx, int compIIdx, int compJIdx)
142 {
143 142376922 return EffDiffModel::effectiveDiffusionCoefficient(*this, phaseIdx, compIIdx, compJIdx);
144 };
145
146 71188461 effectiveDiffCoeff_.update(getEffectiveDiffusionCoefficient);
147
148 71188461 EnergyVolVars::updateEffectiveThermalConductivity();
149 71188461 }
150
151 /*!
152 * \brief Completes the fluid state.
153 *
154 * \note TODO: This is a lot of copy paste from the 2p2c: factor out code!
155 *
156 * \param elemSol A vector containing all primary variables connected to the element
157 * \param problem The object specifying the problem which ought to be simulated
158 * \param element An element which contains part of the control volume
159 * \param scv The sub-control volume
160 * \param fluidState A container with the current (physical) state of the fluid
161 * \param solidState A container with the current (physical) state of the solid
162 *
163 * Set temperature, saturations, capillary pressures, viscosities, densities and enthalpies.
164 */
165 template<class ElemSol, class Problem, class Element, class Scv>
166 71188461 void completeFluidState(const ElemSol& elemSol,
167 const Problem& problem,
168 const Element& element,
169 const Scv& scv,
170 FluidState& fluidState,
171 SolidState& solidState)
172 {
173 71188461 EnergyVolVars::updateTemperature(elemSol, problem, element, scv, fluidState, solidState);
174
175 71188461 const auto& priVars = elemSol[scv.localDofIndex()];
176 71188461 const auto phasePresence = priVars.state();
177
178
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71188461 const auto& spatialParams = problem.spatialParams();
179
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71188461 const auto wPhaseIdx = spatialParams.template wettingPhase<FluidSystem>(element, scv, elemSol);
180
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71188461 fluidState.setWettingPhase(wPhaseIdx);
181
182
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71188461 const auto fluidMatrixInteraction = spatialParams.fluidMatrixInteraction(element, scv, elemSol);
183
184 // set the saturations
185
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71188461 if (phasePresence == secondPhaseOnly)
186 {
187 fluidState.setSaturation(phase0Idx, 0.0);
188 fluidState.setSaturation(phase1Idx, 1.0);
189 }
190
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71188461 else if (phasePresence == firstPhaseOnly)
191 {
192 67861748 fluidState.setSaturation(phase0Idx, 1.0);
193 67861748 fluidState.setSaturation(phase1Idx, 0.0);
194 }
195
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3326713 else if (phasePresence == bothPhases)
196 {
197 if (formulation == TwoPFormulation::p0s1)
198 {
199 6653426 fluidState.setSaturation(phase1Idx, priVars[switchIdx]);
200 6653426 fluidState.setSaturation(phase0Idx, 1 - priVars[switchIdx]);
201 }
202 else
203 {
204 fluidState.setSaturation(phase0Idx, priVars[switchIdx]);
205 fluidState.setSaturation(phase1Idx, 1 - priVars[switchIdx]);
206 }
207 }
208 else
209 DUNE_THROW(Dune::InvalidStateException, "Invalid phase presence.");
210
211 // set pressures of the fluid phases
212 142376922 pc_ = fluidMatrixInteraction.pc(fluidState.saturation(wPhaseIdx));
213 if (formulation == TwoPFormulation::p0s1)
214 {
215
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142376922 fluidState.setPressure(phase0Idx, priVars[pressureIdx]);
216
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142376922 fluidState.setPressure(phase1Idx, (wPhaseIdx == phase0Idx) ? priVars[pressureIdx] + pc_
217 : priVars[pressureIdx] - pc_);
218 }
219 else
220 {
221 fluidState.setPressure(phase1Idx, priVars[pressureIdx]);
222 fluidState.setPressure(phase0Idx, (wPhaseIdx == phase0Idx) ? priVars[pressureIdx] - pc_
223 : priVars[pressureIdx] + pc_);
224 }
225
226 // calculate the phase compositions
227 typename FluidSystem::ParameterCache paramCache;
228 // both phases are present
229
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71188461 if (phasePresence == bothPhases)
230 {
231 //Get the equilibrium mole fractions from the FluidSystem and set them in the fluidState
232 //xCO2 = equilibrium mole fraction of CO2 in the liquid phase
233 //yH2O = equilibrium mole fraction of H2O in the gas phase
234 3326713 const auto xwCO2 = FluidSystem::equilibriumMoleFraction(fluidState, paramCache, phase0Idx);
235 3326713 const auto xgH2O = FluidSystem::equilibriumMoleFraction(fluidState, paramCache, phase1Idx);
236 3326713 const auto xwH2O = 1 - xwCO2;
237 3326713 const auto xgCO2 = 1 - xgH2O;
238 3326713 fluidState.setMoleFraction(phase0Idx, comp0Idx, xwH2O);
239 3326713 fluidState.setMoleFraction(phase0Idx, comp1Idx, xwCO2);
240 3326713 fluidState.setMoleFraction(phase1Idx, comp0Idx, xgH2O);
241 3326713 fluidState.setMoleFraction(phase1Idx, comp1Idx, xgCO2);
242 }
243
244 // only the nonwetting phase is present, i.e. nonwetting phase
245 // composition is stored explicitly.
246
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67861748 else if (phasePresence == secondPhaseOnly)
247 {
248 if( useMoles() ) // mole-fraction formulation
249 {
250 // set the fluid state
251 fluidState.setMoleFraction(phase1Idx, comp0Idx, priVars[switchIdx]);
252 fluidState.setMoleFraction(phase1Idx, comp1Idx, 1-priVars[switchIdx]);
253 // TODO give values for non-existing wetting phase
254 const auto xwCO2 = FluidSystem::equilibriumMoleFraction(fluidState, paramCache, phase0Idx);
255 const auto xwH2O = 1 - xwCO2;
256 fluidState.setMoleFraction(phase0Idx, comp1Idx, xwCO2);
257 fluidState.setMoleFraction(phase0Idx, comp0Idx, xwH2O);
258 }
259 else // mass-fraction formulation
260 {
261 // setMassFraction() has only to be called 1-numComponents times
262 fluidState.setMassFraction(phase1Idx, comp0Idx, priVars[switchIdx]);
263 // TODO give values for non-existing wetting phase
264 const auto xwCO2 = FluidSystem::equilibriumMoleFraction(fluidState, paramCache, phase0Idx);
265 const auto xwH2O = 1 - xwCO2;
266 fluidState.setMoleFraction(phase0Idx, comp1Idx, xwCO2);
267 fluidState.setMoleFraction(phase0Idx, comp0Idx, xwH2O);
268 }
269 }
270
271 // only the wetting phase is present, i.e. wetting phase
272 // composition is stored explicitly.
273
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67861748 else if (phasePresence == firstPhaseOnly)
274 {
275 if( useMoles() ) // mole-fraction formulation
276 {
277 // convert mass to mole fractions and set the fluid state
278 fluidState.setMoleFraction(phase0Idx, comp0Idx, 1-priVars[switchIdx]);
279 fluidState.setMoleFraction(phase0Idx, comp1Idx, priVars[switchIdx]);
280 // TODO give values for non-existing nonwetting phase
281 Scalar xnH2O = FluidSystem::equilibriumMoleFraction(fluidState, paramCache, phase1Idx);
282 Scalar xnCO2 = 1 - xnH2O;
283 fluidState.setMoleFraction(phase1Idx, comp1Idx, xnCO2);
284 fluidState.setMoleFraction(phase1Idx, comp0Idx, xnH2O);
285 }
286 else // mass-fraction formulation
287 {
288 // setMassFraction() has only to be called 1-numComponents times
289 135723496 fluidState.setMassFraction(phase0Idx, comp1Idx, priVars[switchIdx]);
290 // TODO give values for non-existing nonwetting phase
291 67861748 Scalar xnH2O = FluidSystem::equilibriumMoleFraction(fluidState, paramCache, phase1Idx);
292 67861748 Scalar xnCO2 = 1 - xnH2O;
293 67861748 fluidState.setMoleFraction(phase1Idx, comp1Idx, xnCO2);
294 67861748 fluidState.setMoleFraction(phase1Idx, comp0Idx, xnH2O);
295 }
296 }
297
298
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213565383 for (int phaseIdx = 0; phaseIdx < ModelTraits::numFluidPhases(); ++phaseIdx)
299 {
300 // set the viscosity and desity here if constraintsolver is not used
301 142376922 paramCache.updateComposition(fluidState, phaseIdx);
302 142376922 const Scalar rho = FluidSystem::density(fluidState, paramCache, phaseIdx);
303 142376922 fluidState.setDensity(phaseIdx, rho);
304 142376922 const Scalar rhoMolar = FluidSystem::molarDensity(fluidState, phaseIdx);
305 142376922 fluidState.setMolarDensity(phaseIdx, rhoMolar);
306 142376922 const Scalar mu = FluidSystem::viscosity(fluidState, paramCache, phaseIdx);
307 142376922 fluidState.setViscosity(phaseIdx,mu);
308
309 // compute and set the enthalpy
310 142376922 Scalar h = EnergyVolVars::enthalpy(fluidState, paramCache, phaseIdx);
311 284753844 fluidState.setEnthalpy(phaseIdx, h);
312 }
313 71188461 }
314
315 /*!
316 * \brief Returns the phase state within the control volume.
317 */
318 const FluidState &fluidState() const
319 742787357 { return fluidState_; }
320
321 /*!
322 * \brief Returns the phase state for the control volume.
323 */
324 const SolidState &solidState() const
325 46343514 { return solidState_; }
326
327 /*!
328 * \brief Returns the average molar mass \f$\mathrm{[kg/mol]}\f$ of the fluid phase.
329 *
330 * \param phaseIdx The phase index
331 */
332 Scalar averageMolarMass(int phaseIdx) const
333 { return fluidState_.averageMolarMass(phaseIdx); }
334
335 /*!
336 * \brief Returns the saturation of a given phase within
337 * the control volume in \f$[-]\f$.
338 *
339 * \param phaseIdx The phase index
340 */
341 Scalar saturation(const int phaseIdx) const
342
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2964213248 { return fluidState_.saturation(phaseIdx); }
343
344 /*!
345 * \brief Returns the mass fraction of a given component in a
346 * given phase within the control volume in \f$[-]\f$.
347 *
348 * \param phaseIdx The phase index
349 * \param compIdx The component index
350 */
351 Scalar massFraction(const int phaseIdx, const int compIdx) const
352 4302283120 { return fluidState_.massFraction(phaseIdx, compIdx); }
353
354 /*!
355 * \brief Returns the mole fraction of a given component in a
356 * given phase within the control volume in \f$[-]\f$.
357 *
358 * \param phaseIdx The phase index
359 * \param compIdx The component index
360 */
361 Scalar moleFraction(const int phaseIdx, const int compIdx) const
362 11882086 { return fluidState_.moleFraction(phaseIdx, compIdx); }
363
364 /*!
365 * \brief Returns the mass density of a given phase within the
366 * control volume in \f$[kg/m^3]\f$.
367 *
368 * \param phaseIdx The phase index
369 */
370 Scalar density(const int phaseIdx) const
371
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13561004512 { return fluidState_.density(phaseIdx); }
372
373 /*!
374 * \brief Returns the dynamic viscosity of the fluid within the
375 * control volume in \f$\mathrm{[Pa s]}\f$.
376 *
377 * \param phaseIdx The phase index
378 */
379 Scalar viscosity(const int phaseIdx) const
380 { return fluidState_.viscosity(phaseIdx); }
381
382 /*!
383 * \brief Returns the mass density of a given phase within the
384 * control volume in \f$[mol/m^3]\f$.
385 *
386 * \param phaseIdx The phase index
387 */
388 Scalar molarDensity(const int phaseIdx) const
389 9358184 { return fluidState_.molarDensity(phaseIdx) ; }
390
391 /*!
392 * \brief Returns the effective pressure of a given phase within
393 * the control volume in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
394 *
395 * \param phaseIdx The phase index
396 */
397 Scalar pressure(const int phaseIdx) const
398 2456955800 { return fluidState_.pressure(phaseIdx); }
399
400 /*!
401 * \brief Returns temperature within the control volume in \f$[K]\f$.
402 *
403 * Note that we assume thermodynamic equilibrium, i.e. the
404 * temperature of the rock matrix and of all fluid phases are
405 * identical.
406 */
407 Scalar temperature() const
408
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670965024 { return fluidState_.temperature(/*phaseIdx=*/0); }
409
410 /*!
411 * \brief Returns the relative permeability of a given phase within
412 * the control volume in \f$[-]\f$.
413 *
414 * \param phaseIdx The phase index
415 */
416 Scalar relativePermeability(const int phaseIdx) const
417 { return relativePermeability_[phaseIdx]; }
418
419 /*!
420 * \brief Returns the effective mobility of a given phase within
421 * the control volume in \f$[s*m/kg]\f$.
422 *
423 * \param phaseIdx The phase index
424 */
425 Scalar mobility(const int phaseIdx) const
426 1237192560 { return relativePermeability_[phaseIdx]/fluidState_.viscosity(phaseIdx); }
427
428 /*!
429 * \brief Returns the effective capillary pressure within the control volume
430 * in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
431 */
432 Scalar capillaryPressure() const
433 7018638 { return fluidState_.pressure(phase1Idx) - fluidState_.pressure(phase0Idx); }
434
435 /*!
436 * \brief Returns the average porosity within the control volume in \f$[-]\f$.
437 */
438 Scalar porosity() const
439
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2821247016 { return solidState_.porosity(); }
440
441 /*!
442 * \brief Returns the average permeability within the control volume in \f$[m^2]\f$.
443 */
444 const PermeabilityType& permeability() const
445 { return permeability_; }
446
447 /*!
448 * \brief Returns the binary diffusion coefficients for a phase in \f$[m^2/s]\f$.
449 */
450 Scalar diffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
451 {
452 typename FluidSystem::ParameterCache paramCache;
453 142376922 paramCache.updatePhase(fluidState_, phaseIdx);
454
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142376922 return FluidSystem::binaryDiffusionCoefficient(fluidState_, paramCache, phaseIdx, compIIdx, compJIdx);
455 }
456
457 /*!
458 * \brief Returns the effective diffusion coefficients for a phase in \f$[m^2/s]\f$.
459 */
460 Scalar effectiveDiffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
461 708889568 { return effectiveDiffCoeff_(phaseIdx, compIIdx, compJIdx); }
462
463
464 /*!
465 * \brief Returns the wetting phase index
466 */
467 int wettingPhase() const
468 { return fluidState_.wettingPhase(); }
469
470 private:
471 FluidState fluidState_;
472 SolidState solidState_;
473 Scalar pc_; // The capillary pressure
474 PermeabilityType permeability_; // Effective permeability within the control volume
475
476 // Relative permeability within the control volume
477 std::array<Scalar, ModelTraits::numFluidPhases()> relativePermeability_;
478
479 // Effective diffusion coefficients for the phases
480 DiffusionCoefficients effectiveDiffCoeff_;
481 };
482
483 } // end namespace Dumux
484
485 #endif
486