GCC Code Coverage Report


Directory: ../../../builds/dumux-repositories/
File: /builds/dumux-repositories/dumux/dumux/material/fluidsystems/h2oheavyoil.hh
Date: 2024-05-04 19:09:25
Exec Total Coverage
Lines: 98 106 92.5%
Functions: 19 20 95.0%
Branches: 84 213 39.4%

Line Branch Exec Source
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 FluidSystems
10 * \brief @copybrief Dumux::FluidSystems::H2OHeavyOil
11 */
12 #ifndef DUMUX_H2O_HEAVYOIL_FLUID_SYSTEM_HH
13 #define DUMUX_H2O_HEAVYOIL_FLUID_SYSTEM_HH
14
15 #include <dumux/material/idealgas.hh>
16 #include <dumux/material/components/h2o.hh>
17 #include <dumux/material/components/tabulatedcomponent.hh>
18 #include <dumux/material/components/heavyoil.hh>
19
20 #include <dumux/material/binarycoefficients/h2o_heavyoil.hh>
21
22 #include <dumux/material/fluidsystems/base.hh>
23
24 #include <dumux/io/name.hh>
25
26 namespace Dumux {
27 namespace FluidSystems {
28
29 /*!
30 * \ingroup FluidSystems
31 * \brief A compositional fluid system with water and heavy oil
32 * components in both the liquid and the gas phase.
33 */
34 template <class Scalar,
35 class H2OType = Dumux::Components::TabulatedComponent<Dumux::Components::H2O<Scalar> > >
36 class H2OHeavyOil
37 : public Base<Scalar, H2OHeavyOil<Scalar, H2OType> >
38 {
39 using ThisType = H2OHeavyOil<Scalar, H2OType>;
40
41 public:
42 using HeavyOil = Dumux::Components::HeavyOil<Scalar>;
43 using H2O = H2OType;
44
45
46 static const int numPhases = 3;
47 static const int numComponents = 2;
48
49 static const int wPhaseIdx = 0; // index of the water phase
50 static const int nPhaseIdx = 1; // index of the NAPL phase
51 static const int gPhaseIdx = 2; // index of the gas phase
52
53 static const int H2OIdx = 0;
54 static const int NAPLIdx = 1;
55
56 // export component indices to indicate the main component
57 // of the corresponding phase at atmospheric pressure 1 bar
58 // and room temperature 20°C:
59 static const int wCompIdx = H2OIdx;
60 static const int nCompIdx = NAPLIdx;
61
62 /*!
63 * \brief Initialize the fluid system's static parameters generically
64 *
65 * If a tabulated H2O component is used, we do our best to create
66 * tables that always work.
67 */
68 static void init()
69 {
70
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2 init(/*tempMin=*/273.15,
71 /*tempMax=*/623.15,
72 /*numTemp=*/100,
73 /*pMin=*/0.0,
74 /*pMax=*/20e6,
75 /*numP=*/200);
76 }
77
78 /*!
79 * \brief Initialize the fluid system's static parameters using
80 * problem specific temperature and pressure ranges
81 *
82 * \param tempMin The minimum temperature used for tabulation of water [K]
83 * \param tempMax The maximum temperature used for tabulation of water [K]
84 * \param nTemp The number of ticks on the temperature axis of the table of water
85 * \param pressMin The minimum pressure used for tabulation of water [Pa]
86 * \param pressMax The maximum pressure used for tabulation of water [Pa]
87 * \param nPress The number of ticks on the pressure axis of the table of water
88 */
89 static void init(Scalar tempMin, Scalar tempMax, unsigned nTemp,
90 Scalar pressMin, Scalar pressMax, unsigned nPress)
91 {
92 if (H2O::isTabulated)
93 {
94
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2 H2O::init(tempMin, tempMax, nTemp,
95 pressMin, pressMax, nPress);
96 }
97 }
98
99 /*!
100 * \brief Get the main component of a given phase
101 * \param phaseIdx The index of the fluid phase to consider
102 */
103 static constexpr int getMainComponent(int phaseIdx)
104 {
105 // For the gas phase, choosing a main component appears to be
106 // rather arbitrary. Motivated by the fact that the thermal conductivity
107 // of the gas phase is set to the thermal conductivity of pure water,
108 // water is chosen for now.
109
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95846400 if (phaseIdx == nPhaseIdx)
110 return nCompIdx;
111 else
112 return wCompIdx;
113 }
114
115 /*!
116 * \brief Returns whether the fluids are miscible
117 */
118 static constexpr bool isMiscible()
119 { return true; }
120
121 /*!
122 * \brief Return whether a phase is gaseous
123 *
124 * \param phaseIdx The index of the fluid phase to consider
125 */
126 static constexpr bool isGas(int phaseIdx)
127 {
128
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2 assert(0 <= phaseIdx && phaseIdx < numPhases);
129 return phaseIdx == gPhaseIdx;
130 }
131
132 /*!
133 * \brief Returns true if and only if a fluid phase is assumed to
134 * be an ideal gas.
135 *
136 * \param phaseIdx The index of the fluid phase to consider
137 */
138 static bool isIdealGas(int phaseIdx)
139 { return phaseIdx == gPhaseIdx && H2O::gasIsIdeal() && HeavyOil::gasIsIdeal(); }
140
141 /*!
142 * \brief Returns true if and only if a fluid phase is assumed to
143 * be an ideal mixture.
144 *
145 * We define an ideal mixture as a fluid phase where the fugacity
146 * coefficients of all components times the pressure of the phase
147 * are independent on the fluid composition. This assumption is true
148 * if Henry's law and Raoult's law apply. If you are unsure what
149 * this function should return, it is safe to return false. The
150 * only damage done will be (slightly) increased computation times
151 * in some cases.
152 *
153 * \param phaseIdx The index of the fluid phase to consider
154 */
155 static bool isIdealMixture(int phaseIdx)
156 {
157 assert(0 <= phaseIdx && phaseIdx < numPhases);
158 // we assume Henry's and Raoult's laws for the water phase and
159 // and no interaction between gas molecules of different
160 // components, so all phases are ideal mixtures!
161 return true;
162 }
163
164 /*!
165 * \brief Returns true if and only if a fluid phase is assumed to
166 * be compressible.
167 *
168 * Compressible means that the partial derivative of the density
169 * to the fluid pressure is always larger than zero.
170 *
171 * \param phaseIdx The index of the fluid phase to consider
172 */
173 static constexpr bool isCompressible(int phaseIdx)
174 {
175 assert(0 <= phaseIdx && phaseIdx < numPhases);
176 // gases are always compressible
177 if (phaseIdx == gPhaseIdx)
178 return true;
179 else if (phaseIdx == wPhaseIdx)
180 // the water component decides for the water phase...
181 return H2O::liquidIsCompressible();
182
183 // the NAPL component decides for the napl phase...
184 return HeavyOil::liquidIsCompressible();
185 }
186
187 /*!
188 * \brief Return the human readable name of a phase (used in indices)
189 */
190 24 static std::string phaseName(int phaseIdx)
191 {
192
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24 assert(0 <= phaseIdx && phaseIdx < numPhases);
193
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24 switch (phaseIdx)
194 {
195 8 case wPhaseIdx: return IOName::aqueousPhase();
196 8 case nPhaseIdx: return IOName::naplPhase();
197 8 case gPhaseIdx: return IOName::gaseousPhase();
198 }
199 DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
200 }
201
202 /*!
203 * \brief Return the human readable name of a component (used in indices)
204 */
205 8 static std::string componentName(int compIdx)
206 {
207
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8 switch (compIdx) {
208 4 case H2OIdx: return H2O::name();
209 4 case NAPLIdx: return HeavyOil::name();
210 };
211 DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);
212 }
213
214 /*!
215 * \brief Return the molar mass of a component in [kg/mol].
216 */
217 197738884 static Scalar molarMass(int compIdx)
218 {
219
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197738884 switch (compIdx) {
220 case H2OIdx: return H2O::molarMass();
221 114843842 case NAPLIdx: return HeavyOil::molarMass();
222 };
223 DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);
224 }
225
226 using Base<Scalar, ThisType>::density;
227 //! \copydoc Base<Scalar,ThisType>::density(const FluidState&,int)
228 template <class FluidState>
229 11564843 static Scalar density(const FluidState &fluidState, int phaseIdx)
230 {
231
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11564843 if (phaseIdx == wPhaseIdx) {
232 // See: doctoral thesis of Steffen Ochs 2007
233 // Steam injection into saturated porous media : process analysis including experimental and numerical investigations
234 // http://elib.uni-stuttgart.de/bitstream/11682/271/1/Diss_Ochs_OPUS.pdf
235
236 // This assumes each gas molecule displaces exactly one
237 // molecule in the liquid.
238
239 11564845 return H2O::liquidMolarDensity(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx))
240 3854947 * (H2O::molarMass()*fluidState.moleFraction(wPhaseIdx, H2OIdx)
241 7709893 + HeavyOil::molarMass()*fluidState.moleFraction(wPhaseIdx, NAPLIdx));
242 }
243
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7709894 else if (phaseIdx == nPhaseIdx) {
244 // assume pure NAPL for the NAPL phase
245 3854947 Scalar pressure = HeavyOil::liquidIsCompressible()?fluidState.pressure(phaseIdx):1e100;
246 11564839 return HeavyOil::liquidDensity(fluidState.temperature(phaseIdx), pressure);
247 }
248
249
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3854947 assert (phaseIdx == gPhaseIdx);
250 3854947 Scalar pH2O =
251 7709893 fluidState.moleFraction(gPhaseIdx, H2OIdx) *
252 fluidState.pressure(gPhaseIdx);
253 3854947 Scalar pNAPL =
254 7709893 fluidState.moleFraction(gPhaseIdx, NAPLIdx) *
255 fluidState.pressure(gPhaseIdx);
256 7709893 return H2O::gasDensity(fluidState.temperature(phaseIdx), pH2O)
257 11564839 + HeavyOil::gasDensity(fluidState.temperature(phaseIdx), pNAPL);
258 }
259
260 using Base<Scalar, ThisType>::molarDensity;
261 //! \copydoc Base<Scalar,ThisType>::molarDensity(const FluidState&,int)
262 template <class FluidState>
263 7709895 static Scalar molarDensity(const FluidState &fluidState, int phaseIdx)
264 {
265
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11564841 Scalar temperature = fluidState.temperature(phaseIdx);
266
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11564841 Scalar pressure = fluidState.pressure(phaseIdx);
267
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7709895 if (phaseIdx == nPhaseIdx)
268 {
269 7709894 return HeavyOil::liquidMolarDensity(temperature, pressure);
270 }
271
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3854948 else if (phaseIdx == wPhaseIdx)
272 { // This assumes each gas molecule displaces exactly one
273 // molecule in the liquid.
274 3854947 return H2O::liquidMolarDensity(temperature, pressure);
275 }
276 else
277 {
278 7709893 return H2O::gasMolarDensity(temperature, fluidState.partialPressure(gPhaseIdx, H2OIdx))
279 11564839 + HeavyOil::gasMolarDensity(temperature, fluidState.partialPressure(gPhaseIdx, NAPLIdx));
280 }
281 }
282
283 using Base<Scalar, ThisType>::viscosity;
284 //! \copydoc Base<Scalar,ThisType>::viscosity(const FluidState&,int)
285 template <class FluidState>
286 11564841 static Scalar viscosity(const FluidState &fluidState,
287 int phaseIdx)
288 {
289
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11564841 if (phaseIdx == wPhaseIdx) {
290 // assume pure water viscosity
291 11564839 return H2O::liquidViscosity(fluidState.temperature(phaseIdx),
292 fluidState.pressure(phaseIdx));
293 }
294
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7709894 else if (phaseIdx == nPhaseIdx) {
295 // assume pure NAPL viscosity
296 11564839 return HeavyOil::liquidViscosity(fluidState.temperature(phaseIdx),
297 3854947 fluidState.pressure(phaseIdx));
298 }
299
300
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3854947 assert (phaseIdx == gPhaseIdx);
301
302 /* Wilke method. See:
303 *
304 * See: R. Reid, et al.: The Properties of Gases and Liquids,
305 * 4th edition, McGraw-Hill, 1987, 407-410
306 * 5th edition, McGraw-Hill, 20001, p. 9.21/22
307 *
308 * in this case, we use a simplified version in order to avoid
309 * computationally costly evaluation of sqrt and pow functions and
310 * divisions
311 * -- compare e.g. with Promo Class p. 32/33
312 */
313 7709894 const Scalar mu[numComponents] = {
314 11564839 h2oGasViscosityInMixture(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx)),
315 15419785 HeavyOil::gasViscosity(fluidState.temperature(phaseIdx), HeavyOil::vaporPressure(fluidState.temperature(phaseIdx)))
316 };
317
318 3854947 return mu[H2OIdx]*fluidState.moleFraction(gPhaseIdx, H2OIdx)
319 7709893 + mu[NAPLIdx]*fluidState.moleFraction(gPhaseIdx, NAPLIdx);
320 }
321
322 using Base<Scalar, ThisType>::binaryDiffusionCoefficient;
323 /*!
324 * \brief Given a phase's composition, temperature and pressure,
325 * return the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for components
326 * \f$\mathrm{i}\f$ and \f$\mathrm{j}\f$ in this phase.
327 *
328 * Be aware that in this case there are only two components in three phases.
329 * Therefore, we assume the diffusion to simply be the binary diffusion coefficients.
330 * This was previously implemented in diffusionCoefficient(), but is now moved.
331 *
332 * \param fluidState The fluid state
333 * \param phaseIdx Index of the fluid phase
334 * \param compIIdx Index of the component i
335 * \param compJIdx Index of the component j
336 */
337 template <class FluidState>
338 7709904 static Scalar binaryDiffusionCoefficient(const FluidState &fluidState,
339 int phaseIdx,
340 int compIIdx,
341 int compJIdx)
342
343 {
344
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7709904 const Scalar T = fluidState.temperature(phaseIdx);
345
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7709904 const Scalar p = fluidState.pressure(phaseIdx);
346
347 // liquid phase
348
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7709904 if (phaseIdx == wPhaseIdx)
349 return BinaryCoeff::H2O_HeavyOil::liquidDiffCoeff(T, p);
350
351 // gas phase
352
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3854954 else if (phaseIdx == gPhaseIdx)
353 return BinaryCoeff::H2O_HeavyOil::gasDiffCoeff(T, p);
354 else
355
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48 DUNE_THROW(Dune::InvalidStateException,
356 "Non-existent binary diffusion coefficient for phase index "
357 << phaseIdx);
358 }
359
360 using Base<Scalar, ThisType>::diffusionCoefficient;
361 /*!
362 * \brief Calculate the molecular diffusion coefficient for
363 * a component in a fluid phase \f$\mathrm{[mol^2 * s / (kg*m^3)]}\f$
364 * \param fluidState The fluid state
365 * \param phaseIdx Index of the fluid phase
366 * \todo This signature does not match the base fluid system's signature,
367 * which takes an additional component index.
368 */
369 template <class FluidState>
370 7709892 static Scalar diffusionCoefficient(const FluidState &fluidState, int phaseIdx)
371 {
372 // liquid phase
373
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7709892 if (phaseIdx == wPhaseIdx)
374 3854946 return binaryDiffusionCoefficient(fluidState, phaseIdx, H2OIdx, NAPLIdx);
375 // gas phase
376
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3854946 else if (phaseIdx == gPhaseIdx)
377 3854946 return binaryDiffusionCoefficient(fluidState, phaseIdx, NAPLIdx, H2OIdx);
378 else
379 DUNE_THROW(Dune::InvalidStateException,
380 "Non-existent diffusion coefficient for phase index "<< phaseIdx);
381 }
382
383 /*!
384 * \brief Henry coefficients \f$[N/m^2]\f$ of a component in a phase.
385 * \param fluidState An arbitrary fluid state
386 * \param phaseIdx The index of the phase to consider
387 * \param compIdx The index of the component to consider
388 */
389 template <class FluidState>
390 static Scalar henryCoefficient(const FluidState &fluidState,
391 int phaseIdx,
392 int compIdx)
393 {
394 assert(0 <= phaseIdx && phaseIdx < numPhases);
395 assert(0 <= compIdx && compIdx < numComponents);
396
397 const Scalar T = fluidState.temperature(phaseIdx);
398
399 if (compIdx == NAPLIdx && phaseIdx == wPhaseIdx)
400 return Dumux::BinaryCoeff::H2O_HeavyOil::henryOilInWater(T);
401
402 else if (phaseIdx == nPhaseIdx && compIdx == H2OIdx)
403 return Dumux::BinaryCoeff::H2O_HeavyOil::henryWaterInOil(T);
404
405 else
406 DUNE_THROW(Dune::InvalidStateException, "non-existent henry coefficient for phase index " << phaseIdx
407 << " and component index " << compIdx);
408 }
409
410 /*!
411 * \brief Partial pressures in the gas phase, taken from saturation vapor pressures.
412 * \param fluidState An arbitrary fluid state
413 * \param phaseIdx The index of the phase to consider
414 * \param compIdx The index of the component to consider
415 */
416 template <class FluidState>
417 7712561 static Scalar partialPressureGas(const FluidState &fluidState, int phaseIdx,
418 int compIdx)
419 {
420
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7712561 assert(0 <= compIdx && compIdx < numComponents);
421
422
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7712561 const Scalar T = fluidState.temperature(phaseIdx);
423
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7712561 if (compIdx == NAPLIdx)
424 7712178 return HeavyOil::vaporPressure(T);
425 else if (compIdx == H2OIdx)
426 3856472 return H2O::vaporPressure(T);
427 else
428 DUNE_THROW(Dune::InvalidStateException, "non-existent component index " << compIdx);
429 }
430
431 /*!
432 * \brief Inverse vapor pressures, taken from inverse saturation vapor pressures
433 * \param fluidState An arbitrary fluid state
434 * \param phaseIdx The index of the phase to consider
435 * \param compIdx The index of the component to consider
436 */
437 template <class FluidState>
438 765 static Scalar inverseVaporPressureCurve(const FluidState &fluidState,
439 int phaseIdx,
440 int compIdx)
441 {
442
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765 assert(0 <= compIdx && compIdx < numComponents);
443
444
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765 const Scalar pressure = fluidState.pressure(phaseIdx);
445
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765 if (compIdx == NAPLIdx)
446 766 return HeavyOil::vaporTemperature(pressure);
447 else if (compIdx == H2OIdx)
448 764 return H2O::vaporTemperature(pressure);
449 else
450 DUNE_THROW(Dune::InvalidStateException, "non-existent component index " << compIdx);
451 }
452
453 using Base<Scalar, ThisType>::enthalpy;
454 /*!
455 * \brief Given all mole fractions in a phase, return the specific
456 * phase enthalpy\f$\mathrm{[J/kg]}\f$.
457 * \param fluidState An arbitrary fluid state
458 * \param phaseIdx The index of the phase to consider
459 * \todo This system neglects the contribution of gas-molecules in the liquid phase.
460 * This contribution is probably not big.
461 * Somebody would have to find out the enthalpy of solution for this system. ...
462 */
463 template <class FluidState>
464 11564841 static Scalar enthalpy(const FluidState &fluidState,
465 int phaseIdx)
466 {
467
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11564841 if (phaseIdx == wPhaseIdx) {
468 11564839 return H2O::liquidEnthalpy(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx));
469 }
470
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7709894 else if (phaseIdx == nPhaseIdx) {
471 15419785 return HeavyOil::liquidEnthalpy(fluidState.temperature(phaseIdx), fluidState.pressure(phaseIdx));
472 }
473
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3854947 else if (phaseIdx == gPhaseIdx) { // gas phase enthalpy depends strongly on composition
474 11564839 Scalar hgc = HeavyOil::gasEnthalpy(fluidState.temperature(phaseIdx),
475 fluidState.pressure(phaseIdx));
476 11564839 Scalar hgw = H2O::gasEnthalpy(fluidState.temperature(phaseIdx),
477 fluidState.pressure(phaseIdx));
478
479 3854947 Scalar result = 0;
480 3854947 result += hgw * fluidState.massFraction(gPhaseIdx, H2OIdx);
481 3854947 result += hgc * fluidState.massFraction(gPhaseIdx, NAPLIdx);
482
483 3854947 return result;
484 }
485 DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
486 }
487
488 /*!
489 * \brief Returns the specific enthalpy \f$\mathrm{[J/kg]}\f$ of a component in a specific phase
490 * \param fluidState The fluid state
491 * \param phaseIdx The index of the phase
492 * \param componentIdx The index of the component
493 */
494 template <class FluidState>
495 static Scalar componentEnthalpy(const FluidState& fluidState, int phaseIdx, int componentIdx)
496 {
497 const Scalar T = fluidState.temperature(phaseIdx);
498 const Scalar p = fluidState.pressure(phaseIdx);
499
500 if (phaseIdx == wPhaseIdx)
501 {
502 if (componentIdx == H2OIdx)
503 return H2O::liquidEnthalpy(T, p);
504 else if (componentIdx == NAPLIdx)
505 DUNE_THROW(Dune::NotImplemented, "The component enthalpy for NAPL in water is not implemented.");
506 DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << componentIdx);
507 }
508 else if (phaseIdx == nPhaseIdx)
509 {
510 if (componentIdx == H2OIdx)
511 DUNE_THROW(Dune::NotImplemented, "The component enthalpy for water in NAPL is not implemented.");
512 else if (componentIdx == NAPLIdx)
513 return HeavyOil::liquidEnthalpy(T, p);
514 DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << componentIdx);
515 }
516 else if (phaseIdx == gPhaseIdx)
517 {
518 if (componentIdx == H2OIdx)
519 return H2O::gasEnthalpy(T, p);
520 else if (componentIdx == NAPLIdx)
521 return HeavyOil::gasEnthalpy(T, p);
522 DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << componentIdx);
523 }
524 DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
525 }
526
527 using Base<Scalar, ThisType>::heatCapacity;
528 //! \copydoc Base<Scalar,ThisType>::heatCapacity(const FluidState&,int)
529 template <class FluidState>
530 3 static Scalar heatCapacity(const FluidState &fluidState,
531 int phaseIdx)
532 {
533
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33 DUNE_THROW(Dune::NotImplemented, "FluidSystems::H2ONAPL::heatCapacity()");
534 }
535
536 using Base<Scalar, ThisType>::thermalConductivity;
537 /*!
538 * \brief Thermal conductivity of a fluid phase \f$\mathrm{[W/(m K)]}\f$.
539 *
540 * Use the conductivity of water (wPhase and gPhase) and oil (nPhase) as a first approximation.
541 *
542 * \param fluidState An arbitrary fluid state
543 * \param phaseIdx The index of the fluid phase to consider
544 */
545 template <class FluidState>
546 11564841 static Scalar thermalConductivity(const FluidState &fluidState,
547 int phaseIdx)
548 {
549
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11564841 const Scalar temperature = fluidState.temperature(phaseIdx) ;
550
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11564841 const Scalar pressure = fluidState.pressure(phaseIdx);
551
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11564841 if (phaseIdx == wPhaseIdx)
552 {
553 3854947 return H2O::liquidThermalConductivity(temperature, pressure);
554 }
555
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7709894 else if (phaseIdx == nPhaseIdx)
556 {
557 return HeavyOil::liquidThermalConductivity(temperature, pressure);
558 }
559
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3854947 else if (phaseIdx == gPhaseIdx)
560 {
561 3854947 return H2O::gasThermalConductivity(temperature, pressure);
562 }
563 DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
564 }
565
566 };
567 } // end namespace FluidSystems
568 } // end namespace Dumux
569
570 #endif
571