GCC Code Coverage Report

Directory: ../../../builds/dumux-repositories/
File: /builds/dumux-repositories/dumux/dumux/material/components/defaultco2table.hh
Date: 2024-05-04 19:09:25
Exec Total Coverage
Lines: 33 41 80.5%
Functions: 6 22 27.3%
Branches: 21 36 58.3%
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 Components
10 * \brief The default CO2 table provides the CO2 density and enthalpy values with in
11 * the range of 290 K to 340 K and 100 KPa to 100 MPa.
12 *
13 * \note If you need a CO2 table with specified pressure and temperature ranges,
14 * use the script bin/utils/make_co2_table.py to generate the new table and
15 * include the new table in the properties.hh.
16 *
17 */
18 #ifndef DUMUX_COMPONENTS_DEFAULT_CO2_CO2TABLE_HH
19 #define DUMUX_COMPONENTS_DEFAULT_CO2_CO2TABLE_HH
20
21 #include <dune/common/float_cmp.hh>
22
23 /* Tables for CO2 fluid properties calculated according to Span and
24 * Wagner (1996) and using a web service of the National Institute
25 * of Standards and Techlology of the U.S. Department of Commerce:
26 * https://webbook.nist.gov/
27 *
28 * THIS AN AUTO-GENERATED FILE! DO NOT EDIT IT!
29 *
30 ********************************************************************
31
32 In case you are using this the data generated with this script
33 please cite the following publications:
34
35 P.J. Linstrom and W.G. Mallard, Eds.,
36 NIST Chemistry WebBook, NIST Standard Reference Database Number 69,
37 National Institute of Standards and Technology, Gaithersburg MD, 20899,
38 https://doi.org/10.18434/T4D303, (retrieved March 22, 2023).
39
40 Span, Roland, and Wolfgang Wagner.
41 "A new equation of state for carbon dioxide covering
42 the fluid region from the triple‐point temperature
43 to 1100 K at pressures up to 800 MPa."
44 Journal of physical and chemical reference data 25.6 (1996): 1509-1596.
45 https://doi.org/10.1063/1.555991
46
47 ********************************************************************
48 *
49 * Generated using:
50 *
51 * ./make_co2_table.py -t1 290.0 -t2 340.0 -nt 50 -p1 100000.0 -p2 100000000.0 -np 495
52 */
53
54
55 namespace Dumux::GeneratedCO2Tables {
56
57 /*!
58 * \ingroup Components
59 * \brief A generic template for tabulated material laws that depend
60 * on two parameters.
61 *
62 * \note If you need a CO2 table with specified pressure and temperature ranges,
63 * use the script bin/utils/make_co2_table.py to generate the new table and
64 * include the new table in the properties.hh.
65 */
66 template <class Traits>
67 class TabulatedProperties
68 {
69 using Scalar = typename Traits::Scalar;
70
71 static constexpr auto numTempSteps = Traits::numTempSteps;
72 static constexpr auto numPressSteps = Traits::numPressSteps;
73
74 public:
75 TabulatedProperties() = default;
76
77 ✗ constexpr Scalar minTemp() const { return Traits::minTemp; }
78 ✗ constexpr Scalar maxTemp() const { return Traits::maxTemp; }
79 ✗ constexpr Scalar minPress() const { return Traits::minPress; }
80 ✗ constexpr Scalar maxPress() const { return Traits::maxPress; }
81
82 ✗ constexpr bool applies(Scalar temperature, Scalar pressure) const
83 {
84
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 621956831 return minTemp() <= temperature && temperature <= maxTemp() &&
85
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 621956831 minPress() <= pressure && pressure <= maxPress();
86 }
87
88 1061489914 constexpr Scalar at(Scalar temperature, Scalar pressure) const
89 {
90
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 1061489914 if (!applies(temperature, pressure))
91 {
92
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 5318104 if (temperature<minTemp()) temperature = minTemp();
93
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 24 else if (temperature>maxTemp()) temperature = maxTemp();
94
95
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 5318104 if (pressure<minPress()) pressure = minPress();
96
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 5318080 else if (pressure>maxPress()) pressure = maxPress();
97 }
98
99 1061489914 const int i = findTempIdx_(temperature);
100 1061489914 const int j = findPressIdx_(pressure);
101
102 2122979828 const Scalar tempAtI = temperatureAt_(i);
103 2122979828 const Scalar tempAtI1 = temperatureAt_(i + 1);
104 2122979828 const Scalar pressAtI = pressureAt_(j);
105 2122979828 const Scalar pressAtI1 = pressureAt_(j + 1);
106
107 1061489914 const Scalar alpha = (temperature - tempAtI)/(tempAtI1 - tempAtI);
108 1061489914 const Scalar beta = (pressure - pressAtI)/(pressAtI1 - pressAtI);
109
110 // bi-linear interpolation
111 1061489914 const Scalar lowresValue =
112 3184469742 (1-alpha)*(1-beta)*val(i, j) +
113 3184469742 (1-alpha)*( beta)*val(i, j + 1) +
114 2122979828 ( alpha)*(1-beta)*val(i + 1, j) +
115 2122979828 ( alpha)*( beta)*val(i + 1, j + 1);
116
117 // return the weighted sum of the low- and high-resolution values
118 1061489914 return lowresValue;
119 }
120
121 ✗ constexpr Scalar val(int i, int j) const
122 2509099644 { return Traits::vals[i][j]; }
123
124 private:
125 1061489914 constexpr int findTempIdx_(Scalar temperature) const
126 {
127
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 2122979828 if (Dune::FloatCmp::eq<Scalar>(temperature, maxTemp()))
128 return numTempSteps - 2;
129
130 1061489914 const int result = static_cast<int>((temperature - minTemp())/(maxTemp() - minTemp())*(numTempSteps - 1));
131
132 using std::clamp;
133
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 2122979828 return clamp(result, 0, numTempSteps - 2);
134 }
135
136 1061489914 constexpr int findPressIdx_(Scalar pressure) const
137 {
138
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 2122979828 if (Dune::FloatCmp::eq<Scalar>(pressure, maxPress()))
139 return numPressSteps - 2;
140
141 1061489914 const int result = static_cast<int>((pressure - minPress())/(maxPress() - minPress())*(numPressSteps - 1));
142
143 using std::clamp;
144
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 2122979828 return clamp(result, 0, numPressSteps - 2);
145 }
146
147 ✗ constexpr Scalar temperatureAt_(int i) const
148 1254549822 { return i*(maxTemp() - minTemp())/(numTempSteps - 1) + minTemp(); }
149
150 ✗ constexpr Scalar pressureAt_(int j) const
151 1254549822 { return j*(maxPress() - minPress())/(numPressSteps - 1) + minPress(); }
152 };
153
154 struct TabulatedDensityTraits
155 {
156 using Scalar = double;
157 static constexpr std::string_view name = "density";
158 static constexpr int numTempSteps = 50;
159 static constexpr Scalar minTemp = 290.0;
160 static constexpr Scalar maxTemp = 340.0;
161 static constexpr int numPressSteps = 495;
162 static constexpr Scalar minPress = 100000.0;
163 static constexpr Scalar maxPress = 100000000.0;
164 static constexpr Scalar vals[numTempSteps][numPressSteps] = {
165 {1.835234672750e+00, 5.609580202420e+00, 9.472493322930e+00, 1.342953108800e+01, 1.748683681860e+01, 2.165122860470e+01, 2.593030563670e+01, 3.033257695440e+01, 3.486761866390e+01, 3.954626770210e+01, 4.438086308160e+01, 4.938554963520e+01, 5.457666523520e+01, 5.997324131010e+01, 6.559765994890e+01, 7.147653187200e+01, 7.764189322990e+01, 8.413287502240e+01, 9.099809498650e+01, 9.829919448460e+01, 1.061162697690e+02, 1.145566054680e+02, 1.237695505470e+02, 1.339738126600e+02, 1.455128257180e+02, 1.589845822980e+02, 8.057312854290e+02, 8.108402448210e+02, 8.155824372050e+02, 8.200167155520e+02, 8.241880065360e+02, 8.281315309910e+02, 8.318754989790e+02, 8.354429089570e+02, 8.388527925240e+02, 8.421211012730e+02, 8.452613544230e+02, 8.482851218090e+02, 8.512023906970e+02, 8.540218488390e+02, 8.567511059840e+02, 8.593968694200e+02, 8.619650846650e+02, 8.644610493680e+02, 8.668895063900e+02, 8.692547205140e+02, 8.715605421560e+02, 8.738104606480e+02, 8.760076491190e+02, 8.781550025050e+02, 8.802551699400e+02, 8.823105825040e+02, 8.843234771020e+02, 8.862959171270e+02, 8.882298103940e+02, 8.901269247990e+02, 8.919889020160e+02, 8.938172695420e+02, 8.956134513180e+02, 8.973787771270e+02, 8.991144909270e+02, 9.008217582820e+02, 9.025016729850e+02, 9.041552629890e+02, 9.057834957320e+02, 9.073872829220e+02, 9.089674848520e+02, 9.105249143060e+02, 9.120603400880e+02, 9.135744902290e+02, 9.150680548970e+02, 9.165416890590e+02, 9.179960148990e+02, 9.194316240320e+02, 9.208490795370e+02, 9.222489178100e+02, 9.236316502820e+02, 9.249977649820e+02, 9.263477279900e+02, 9.276819847740e+02, 9.290009614220e+02, 9.303050657860e+02, 9.315946885390e+02, 9.328702041560e+02, 9.341319718260e+02, 9.353803362970e+02, 9.366156286640e+02, 9.378381671070e+02, 9.390482575700e+02, 9.402461944030e+02, 9.414322609590e+02, 9.426067301530e+02, 9.437698649850e+02, 9.449219190270e+02, 9.460631368880e+02, 9.471937546410e+02, 9.483140002310e+02, 9.494240938540e+02, 9.505242483190e+02, 9.516146693830e+02, 9.526955560680e+02, 9.537671009680e+02, 9.548294905240e+02, 9.558829052970e+02, 9.569275202210e+02, 9.579635048400e+02, 9.589910235350e+02, 9.600102357400e+02, 9.610212961450e+02, 9.620243548860e+02, 9.630195577320e+02, 9.640070462560e+02, 9.649869580010e+02, 9.659594266340e+02, 9.669245821010e+02, 9.678825507630e+02, 9.688334555320e+02, 9.697774160040e+02, 9.707145485740e+02, 9.716449665600e+02, 9.725687803100e+02, 9.734860973120e+02, 9.743970222890e+02, 9.753016573040e+02, 9.762001018460e+02, 9.770924529250e+02, 9.779788051490e+02, 9.788592508120e+02, 9.797338799670e+02, 9.806027805030e+02, 9.814660382160e+02, 9.823237368750e+02, 9.831759582900e+02, 9.840227823730e+02, 9.848642871990e+02, 9.857005490640e+02, 9.865316425400e+02, 9.873576405280e+02, 9.881786143100e+02, 9.889946335980e+02, 9.898057665800e+02, 9.906120799690e+02, 9.914136390420e+02, 9.922105076860e+02, 9.930027484370e+02, 9.937904225190e+02, 9.945735898820e+02, 9.953523092380e+02, 9.961266380960e+02, 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214 {1.561811307010e+00, 4.751271712220e+00, 7.983343004140e+00, 1.125933311670e+01, 1.458061290290e+01, 1.794861993130e+01, 2.136486255310e+01, 2.483092426060e+01, 2.834846836280e+01, 3.191924300280e+01, 3.554508654460e+01, 3.922793336200e+01, 4.296982005990e+01, 4.677289216630e+01, 5.063941133200e+01, 5.457176308100e+01, 5.857246515470e+01, 6.264417650100e+01, 6.678970695640e+01, 7.101202767740e+01, 7.531428237850e+01, 7.969979943590e+01, 8.417210491840e+01, 8.873493660890e+01, 9.339225907550e+01, 9.814827985300e+01, 1.030074667840e+02, 1.079745665610e+02, 1.130546244980e+02, 1.182530055200e+02, 1.235754163480e+02, 1.290279287760e+02, 1.346170038910e+02, 1.403495169750e+02, 1.462327826910e+02, 1.522745799830e+02, 1.584831758730e+02, 1.648673470050e+02, 1.714363973510e+02, 1.782001699440e+02, 1.851690497180e+02, 1.923539536060e+02, 1.997663027770e+02, 2.074179703640e+02, 2.153211961120e+02, 2.234884571100e+02, 2.319322812270e+02, 2.406649872410e+02, 2.496983333630e+02, 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215 };
216 };
217
218 struct TabulatedEnthalpyTraits
219 {
220 using Scalar = double;
221 static constexpr std::string_view name = "enthalpy";
222 static constexpr int numTempSteps = 50;
223 static constexpr Scalar minTemp = 290.0;
224 static constexpr Scalar maxTemp = 340.0;
225 static constexpr int numPressSteps = 495;
226 static constexpr Scalar minPress = 100000.0;
227 static constexpr Scalar maxPress = 100000000.0;
228 static constexpr Scalar vals[numTempSteps][numPressSteps] = {
229 {1.408170317687e+04, 1.206094560787e+04, 9.999074027871e+03, 7.893570186871e+03, 5.741655988871e+03, 3.540254335871e+03, 1.285942053871e+03, -1.025107150129e+03, -3.397192399129e+03, -5.835171637130e+03, -8.344568777129e+03, -1.093170876013e+04, -1.360388987113e+04, -1.636960673613e+04, -1.923884338713e+04, -2.222346527813e+04, -2.533775429913e+04, -2.859915597713e+04, -3.202935143913e+04, -3.565584469213e+04, -3.951440377013e+04, -4.365299298513e+04, -4.813848548513e+04, -5.306901658913e+04, -5.859915902013e+04, -6.499942342413e+04, -2.394171458381e+05, -2.402571060261e+05, -2.410293327171e+05, -2.417443818501e+05, -2.424103577441e+05, -2.430336455861e+05, -2.436193824671e+05, -2.441717736191e+05, -2.446943122191e+05, -2.451899366221e+05, -2.456611455771e+05, -2.461100844201e+05, -2.465386107231e+05, -2.469483450921e+05, -2.473407110201e+05, -2.477169665451e+05, -2.480782296861e+05, -2.484254990821e+05, -2.487596708981e+05, -2.490815527861e+05, -2.493918755031e+05, 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230 {1.494233352987e+04, 1.293773704887e+04, 1.089296418787e+04, 8.805599875871e+03, 6.672984322870e+03, 4.492176886871e+03, 2.259912771871e+03, -2.744924112945e+01, -2.373990394129e+03, -4.784310055130e+03, -7.263622560130e+03, -9.817878573129e+03, -1.245391900913e+04, -1.517967283313e+04, -1.800441501013e+04, -2.093910854613e+04, -2.399686661113e+04, -2.719359052313e+04, -3.054887269613e+04, -3.408731238213e+04, -3.784050041813e+04, -4.185014098113e+04, -4.617322218813e+04, -5.089116210213e+04, -5.612745532713e+04, -6.208611520013e+04, -6.915242163013e+04, -2.365590129721e+05, -2.374606629301e+05, -2.382857249881e+05, -2.390467891921e+05, -2.397533775571e+05, -2.404129016941e+05, -2.410312647801e+05, -2.416132582691e+05, -2.421628333951e+05, -2.426832928401e+05, -2.431774296121e+05, -2.436476299051e+05, -2.440959507791e+05, -2.445241797871e+05, -2.449338814431e+05, -2.453264339121e+05, -2.457030583101e+05, -2.460648423681e+05, -2.464127597221e+05, -2.467476857751e+05, 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279 };
280 };
281
282 using TabulatedDensity = TabulatedProperties<TabulatedDensityTraits>;
283 using TabulatedEnthalpy = TabulatedProperties<TabulatedEnthalpyTraits>;
284
285 // this class collects all the tabulated quantities in one convenient place
286 struct CO2Tables
287 {
288 static constexpr inline TabulatedEnthalpy tabulatedEnthalpy = {};
289 static constexpr inline TabulatedDensity tabulatedDensity = {};
290 };
291 } // end namespace Dumux::GeneratedCO2Tables
292
293 #endif
294