diff --git a/CHANGELOG.md b/CHANGELOG.md
index 62a24bf12b1e3446780e843760e5a0717a4e548e..ec4303e55a8b9697f25d6953a9ea7e36e8ebbd2d 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -61,6 +61,8 @@ The change is made in the attempt to unify assembly for CVFE schemes
- __Box/Diamond/Bubble/CVFE Assembly__: The classes `BoxLocalAssembler`, `FaceCenteredDiamondLocalAssembler`, `PQ1BubbleLocalAssembler`, `BoxSubdomainLocalAssembler`, `FaceCenteredDiamondSubdomainLocalAssembler`, `PQ1BubbleSubdomainLocalAssembler` and corresponding
headers have been replaced by `CVFELocalAssembler` and `CVFESubdomainLocalAssembler`.
+- __Default CO2 Table__: The new header `defaultco2table.hh` provides the CO2 density and enthalpy values with in the range of 290 K to 340 K and 100 KPa to 100 MPa. The script `make_co2_table.py` now generates the `co2table.hh` for a specified range, which can be directly included in the properties file.
+
### Deprecated properties/classes/functions/files, to be removed after 3.7:
- __AMGBackend__: `AMGBiCGSTABBackend` have been deprecated, use `AMGBiCGSTABIstlSolver` instead
diff --git a/test/porousmediumflow/co2/co2tables.hh b/bin/util/co2table.hh.template
similarity index 68%
rename from test/porousmediumflow/co2/co2tables.hh
rename to bin/util/co2table.hh.template
index 870953368587ea15ae70331e9c8f3cdb2c0d18f6..5c2c9021a98eda9d4d00cc73e2fa3a67defa8e55 100644
--- a/test/porousmediumflow/co2/co2tables.hh
+++ b/bin/util/co2table.hh.template
@@ -22,11 +22,43 @@
* \brief A generic template for tabulated material laws that depend
* on two parameters.
*/
-#ifndef DUMUX_TEST_CO2_CO2TABLES_HH
-#define DUMUX_TEST_CO2_CO2TABLES_HH
+#ifndef DUMUX_COMPONENTS_CO2_CO2TABLES_HH
+#define DUMUX_COMPONENTS_CO2_CO2TABLES_HH
#include <dune/common/float_cmp.hh>
+ /* Tables for CO2 fluid properties calculated according to Span and
+ * Wagner (1996) and using a web service of the National Institute
+ * of Standards and Techlology of the U.S. Department of Commerce:
+ * https://webbook.nist.gov/
+ *
+ * THIS AN AUTO-GENERATED FILE! DO NOT EDIT IT!
+ *
+ ********************************************************************
+
+ In case you are using this the data generated with this script
+ please cite the following publications:
+
+ P.J. Linstrom and W.G. Mallard, Eds.,
+ NIST Chemistry WebBook, NIST Standard Reference Database Number 69,
+ National Institute of Standards and Technology, Gaithersburg MD, 20899,
+ https://doi.org/10.18434/T4D303, (retrieved $DATE).
+
+ Span, Roland, and Wolfgang Wagner.
+ "A new equation of state for carbon dioxide covering
+ the fluid region from the tripleâ€point temperature
+ to 1100 K at pressures up to 800 MPa."
+ Journal of physical and chemical reference data 25.6 (1996): 1509-1596.
+ https://doi.org/10.1063/1.555991
+
+ ********************************************************************
+ *
+ * Generated using:
+ *
+ * ./make_co2_table.py -t1 $MIN_TEMP -t2 $MAX_TEMP -nt $NUM_TEMP_SAMPLES -p1 $MIN_PRESS -p2 $MAX_PRESS -np $NUM_PRESS_SAMPLES
+ */
+
+
namespace Dumux::GeneratedCO2Tables {
/*!
@@ -122,11 +154,35 @@ private:
{ return j*(maxPress() - minPress())/(numPressSteps - 1) + minPress(); }
};
-#ifndef DOXYGEN // hide from doxygen
-// the real work is done by some external program which provides
-// ready-to-use tables.
-#include "co2values.inc"
-#endif
+struct TabulatedDensityTraits
+{
+ using Scalar = double;
+ static constexpr std::string_view name = "density";
+ static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
+ static constexpr Scalar minTemp = $MIN_TEMP;
+ static constexpr Scalar maxTemp = $MAX_TEMP;
+ static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
+ static constexpr Scalar minPress = $MIN_PRESS;
+ static constexpr Scalar maxPress = $MAX_PRESS;
+ static constexpr Scalar vals[numTempSteps][numPressSteps] = {
+ $DENSITY_VALS
+ };
+};
+
+struct TabulatedEnthalpyTraits
+{
+ using Scalar = double;
+ static constexpr std::string_view name = "enthalpy";
+ static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
+ static constexpr Scalar minTemp = $MIN_TEMP;
+ static constexpr Scalar maxTemp = $MAX_TEMP;
+ static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
+ static constexpr Scalar minPress = $MIN_PRESS;
+ static constexpr Scalar maxPress = $MAX_PRESS;
+ static constexpr Scalar vals[numTempSteps][numPressSteps] = {
+ $ENTHALPY_VALS
+ };
+};
using TabulatedDensity = TabulatedProperties<TabulatedDensityTraits>;
using TabulatedEnthalpy = TabulatedProperties<TabulatedEnthalpyTraits>;
@@ -137,7 +193,6 @@ struct CO2Tables
static constexpr inline TabulatedEnthalpy tabulatedEnthalpy = {};
static constexpr inline TabulatedDensity tabulatedDensity = {};
};
-
} // end namespace Dumux::GeneratedCO2Tables
#endif
diff --git a/bin/util/co2values.inc.template b/bin/util/co2values.inc.template
deleted file mode 100644
index 9f16b1ab2ead83912d36e70b3c3d6b5dfe3a1ea7..0000000000000000000000000000000000000000
--- a/bin/util/co2values.inc.template
+++ /dev/null
@@ -1,60 +0,0 @@
-/* Tables for CO2 fluid properties calculated according to Span and
- * Wagner (1996) and using a web service of the National Institute
- * of Standards and Techlology of the U.S. Department of Commerce:
- * https://webbook.nist.gov/
- *
- * THIS AN AUTO-GENERATED FILE! DO NOT EDIT IT!
- *
- ********************************************************************
-
- In case you are using this the data generated with this script
- please cite the following publications:
-
- P.J. Linstrom and W.G. Mallard, Eds.,
- NIST Chemistry WebBook, NIST Standard Reference Database Number 69,
- National Institute of Standards and Technology, Gaithersburg MD, 20899,
- https://doi.org/10.18434/T4D303, (retrieved $DATE).
-
- Span, Roland, and Wolfgang Wagner.
- "A new equation of state for carbon dioxide covering
- the fluid region from the tripleâ€point temperature
- to 1100 K at pressures up to 800 MPa."
- Journal of physical and chemical reference data 25.6 (1996): 1509-1596.
- https://doi.org/10.1063/1.555991
-
- ********************************************************************
- *
- * Generated using:
- *
- * ./make_co2_table.py -t1 $MIN_TEMP -t2 $MAX_TEMP -nt $NUM_TEMP_SAMPLES -p1 $MIN_PRESS -p2 $MAX_PRESS -np $NUM_PRESS_SAMPLES
- */
-
-struct TabulatedDensityTraits
-{
- using Scalar = double;
- static constexpr std::string_view name = "density";
- static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
- static constexpr Scalar minTemp = $MIN_TEMP;
- static constexpr Scalar maxTemp = $MAX_TEMP;
- static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
- static constexpr Scalar minPress = $MIN_PRESS;
- static constexpr Scalar maxPress = $MAX_PRESS;
- static constexpr Scalar vals[numTempSteps][numPressSteps] = {
- $DENSITY_VALS
- };
-};
-
-struct TabulatedEnthalpyTraits
-{
- using Scalar = double;
- static constexpr std::string_view name = "enthalpy";
- static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
- static constexpr Scalar minTemp = $MIN_TEMP;
- static constexpr Scalar maxTemp = $MAX_TEMP;
- static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
- static constexpr Scalar minPress = $MIN_PRESS;
- static constexpr Scalar maxPress = $MAX_PRESS;
- static constexpr Scalar vals[numTempSteps][numPressSteps] = {
- $ENTHALPY_VALS
- };
-};
diff --git a/bin/util/make_co2_table.py b/bin/util/make_co2_table.py
index e00ecb2a4be7de713de07f37328d136ac2266eb9..d436b39ae3fe11048dc885c0a0b4a16f6152c0bc 100755
--- a/bin/util/make_co2_table.py
+++ b/bin/util/make_co2_table.py
@@ -152,7 +152,7 @@ DENSITY_DATA = ",\n".join(DENSITY_DATA)
ENTHALPY_DATA = ",\n".join(ENTHALPY_DATA)
# write the table by filling the gaps in the template
-with open("co2values.inc.template", "r") as templateFile:
+with open("co2table.hh.template", "r") as templateFile:
template = Template(templateFile.read())
replacements = {
@@ -167,5 +167,5 @@ replacements = {
"DATE": date.today().strftime("%B %d, %Y"),
}
-with open("co2values.inc", "w") as tables:
+with open("co2table.hh", "w") as tables:
tables.write(template.substitute(replacements))
diff --git a/test/porousmediumflow/co2/co2values.inc b/dumux/material/components/defaultco2table.hh
similarity index 99%
rename from test/porousmediumflow/co2/co2values.inc
rename to dumux/material/components/defaultco2table.hh
index 80abe439dae2bd7a734f88681f6485cf0ebd17cf..4a6b3925ce6a7d1b15de5aa333ac9d59dc1522d6 100644
--- a/test/porousmediumflow/co2/co2values.inc
+++ b/dumux/material/components/defaultco2table.hh
@@ -1,4 +1,38 @@
-/* Tables for CO2 fluid properties calculated according to Span and
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 3 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \ingroup Components
+ * \brief The default CO2 table provides the CO2 density and enthalpy values with in
+ * the range of 290 K to 340 K and 100 KPa to 100 MPa.
+ *
+ * \note If you need a CO2 table with specified pressure and temperature ranges,
+ * use the script bin/utils/make_co2_table.py to generate the new table and
+ * include the new table in the properties.hh.
+ *
+ */
+#ifndef DUMUX_COMPONENTS_DEFAULT_CO2_CO2TABLE_HH
+#define DUMUX_COMPONENTS_DEFAULT_CO2_CO2TABLE_HH
+
+#include <dune/common/float_cmp.hh>
+
+ /* Tables for CO2 fluid properties calculated according to Span and
* Wagner (1996) and using a web service of the National Institute
* of Standards and Techlology of the U.S. Department of Commerce:
* https://webbook.nist.gov/
@@ -13,7 +47,7 @@
P.J. Linstrom and W.G. Mallard, Eds.,
NIST Chemistry WebBook, NIST Standard Reference Database Number 69,
National Institute of Standards and Technology, Gaithersburg MD, 20899,
- https://doi.org/10.18434/T4D303, (retrieved March 30, 2022).
+ https://doi.org/10.18434/T4D303, (retrieved March 22, 2023).
Span, Roland, and Wolfgang Wagner.
"A new equation of state for carbon dioxide covering
@@ -29,6 +63,106 @@
* ./make_co2_table.py -t1 290.0 -t2 340.0 -nt 50 -p1 100000.0 -p2 100000000.0 -np 495
*/
+
+namespace Dumux::GeneratedCO2Tables {
+
+/*!
+ * \ingroup Components
+ * \brief A generic template for tabulated material laws that depend
+ * on two parameters.
+ *
+ * \note If you need a CO2 table with specified pressure and temperature ranges,
+ * use the script bin/utils/make_co2_table.py to generate the new table and
+ * include the new table in the properties.hh.
+ */
+template <class Traits>
+class TabulatedProperties
+{
+ using Scalar = typename Traits::Scalar;
+
+ static constexpr auto numTempSteps = Traits::numTempSteps;
+ static constexpr auto numPressSteps = Traits::numPressSteps;
+
+public:
+ TabulatedProperties() = default;
+
+ constexpr Scalar minTemp() const { return Traits::minTemp; }
+ constexpr Scalar maxTemp() const { return Traits::maxTemp; }
+ constexpr Scalar minPress() const { return Traits::minPress; }
+ constexpr Scalar maxPress() const { return Traits::maxPress; }
+
+ constexpr bool applies(Scalar temperature, Scalar pressure) const
+ {
+ return minTemp() <= temperature && temperature <= maxTemp() &&
+ minPress() <= pressure && pressure <= maxPress();
+ }
+
+ constexpr Scalar at(Scalar temperature, Scalar pressure) const
+ {
+ if (!applies(temperature, pressure))
+ {
+ if (temperature<minTemp()) temperature = minTemp();
+ else if (temperature>maxTemp()) temperature = maxTemp();
+
+ if (pressure<minPress()) pressure = minPress();
+ else if (pressure>maxPress()) pressure = maxPress();
+ }
+
+ const int i = findTempIdx_(temperature);
+ const int j = findPressIdx_(pressure);
+
+ const Scalar tempAtI = temperatureAt_(i);
+ const Scalar tempAtI1 = temperatureAt_(i + 1);
+ const Scalar pressAtI = pressureAt_(j);
+ const Scalar pressAtI1 = pressureAt_(j + 1);
+
+ const Scalar alpha = (temperature - tempAtI)/(tempAtI1 - tempAtI);
+ const Scalar beta = (pressure - pressAtI)/(pressAtI1 - pressAtI);
+
+ // bi-linear interpolation
+ const Scalar lowresValue =
+ (1-alpha)*(1-beta)*val(i, j) +
+ (1-alpha)*( beta)*val(i, j + 1) +
+ ( alpha)*(1-beta)*val(i + 1, j) +
+ ( alpha)*( beta)*val(i + 1, j + 1);
+
+ // return the weighted sum of the low- and high-resolution values
+ return lowresValue;
+ }
+
+ constexpr Scalar val(int i, int j) const
+ { return Traits::vals[i][j]; }
+
+private:
+ constexpr int findTempIdx_(Scalar temperature) const
+ {
+ if (Dune::FloatCmp::eq<Scalar>(temperature, maxTemp()))
+ return numTempSteps - 2;
+
+ const int result = static_cast<int>((temperature - minTemp())/(maxTemp() - minTemp())*(numTempSteps - 1));
+
+ using std::clamp;
+ return clamp(result, 0, numTempSteps - 2);
+ }
+
+ constexpr int findPressIdx_(Scalar pressure) const
+ {
+ if (Dune::FloatCmp::eq<Scalar>(pressure, maxPress()))
+ return numPressSteps - 2;
+
+ const int result = static_cast<int>((pressure - minPress())/(maxPress() - minPress())*(numPressSteps - 1));
+
+ using std::clamp;
+ return clamp(result, 0, numPressSteps - 2);
+ }
+
+ constexpr Scalar temperatureAt_(int i) const
+ { return i*(maxTemp() - minTemp())/(numTempSteps - 1) + minTemp(); }
+
+ constexpr Scalar pressureAt_(int j) const
+ { return j*(maxPress() - minPress())/(numPressSteps - 1) + minPress(); }
+};
+
struct TabulatedDensityTraits
{
using Scalar = double;
@@ -156,3 +290,16 @@ struct TabulatedEnthalpyTraits
{5.741625418787e+04, 5.599295977487e+04, 5.455521865487e+04, 5.310265597487e+04, 5.163488165387e+04, 5.015148960287e+04, 4.865205690287e+04, 4.713614293787e+04, 4.560328846687e+04, 4.405301465187e+04, 4.248482201787e+04, 4.089818935587e+04, 3.929257255987e+04, 3.766740339487e+04, 3.602208819487e+04, 3.435600648187e+04, 3.266850950787e+04, 3.095891872187e+04, 2.922652414487e+04, 2.747058266587e+04, 2.569031625187e+04, 2.388491007687e+04, 2.205351056887e+04, 2.019522338487e+04, 1.830911132187e+04, 1.639419217687e+04, 1.444943658187e+04, 1.247376583687e+04, 1.046604978287e+04, 8.425104765871e+03, 6.349691767871e+03, 4.238514782871e+03, 2.090219584871e+03, -9.660698712949e+01, -2.323436986129e+03, -4.591800317129e+03, -6.903282340129e+03, -9.259519683129e+03, -1.166219369413e+04, -1.411302081213e+04, -1.661373895313e+04, -1.916608874913e+04, -2.177178822513e+04, -2.443249913213e+04, -2.714978280313e+04, -2.992504300613e+04, -3.275945288413e+04, -3.565386286313e+04, -3.860868644713e+04, -4.162376142113e+04, -4.469818548413e+04, -4.783012809913e+04, -5.101662486713e+04, -5.425336687013e+04, -5.753450484413e+04, -6.085249494513e+04, -6.419801709513e+04, -6.755999565013e+04, -7.092574398513e+04, -7.428124036513e+04, -7.761152542213e+04, -8.090119633713e+04, -8.413496255613e+04, -8.729822301913e+04, -9.037762316213e+04, -9.336154946613e+04, -9.624052014413e+04, -9.900743559413e+04, -1.016576617561e+05, -1.041889756381e+05, -1.066013426941e+05, -1.088965539721e+05, -1.110778207071e+05, -1.131493740951e+05, -1.151161102631e+05, -1.169833010411e+05, -1.187563742871e+05, -1.204407566071e+05, -1.220417662391e+05, -1.235645432241e+05, -1.250140057721e+05, -1.263948244121e+05, -1.277114081361e+05, -1.289678987731e+05, -1.301681712451e+05, -1.313158381991e+05, -1.324142579651e+05, -1.334665450521e+05, -1.344755824791e+05, -1.354440353541e+05, -1.363743651521e+05, -1.372688442391e+05, -1.381295702641e+05, -1.389584801331e+05, -1.397573633401e+05, -1.405278745141e+05, -1.412715451041e+05, -1.419897941581e+05, -1.426839381991e+05, -1.433552002281e+05, -1.440047178881e+05, -1.446335508551e+05, -1.452426875171e+05, -1.458330509891e+05, -1.464055045511e+05, -1.469608565371e+05, -1.474998647641e+05, -1.480232405201e+05, -1.485316521791e+05, -1.490257284741e+05, -1.495060614681e+05, -1.499732092521e+05, -1.504276984041e+05, -1.508700262321e+05, -1.513006628211e+05, -1.517200529121e+05, -1.521286176171e+05, -1.525267559981e+05, -1.529148465201e+05, -1.532932483881e+05, -1.536623027751e+05, -1.540223339671e+05, -1.543736504051e+05, -1.547165456701e+05, -1.550512993741e+05, -1.553781780041e+05, -1.556974356971e+05, -1.560093149591e+05, -1.563140473391e+05, -1.566118540571e+05, -1.569029465791e+05, -1.571875271701e+05, -1.574657893941e+05, -1.577379185911e+05, -1.580040923211e+05, -1.582644807751e+05, -1.585192471701e+05, -1.587685481041e+05, -1.590125339061e+05, -1.592513489481e+05, -1.594851319531e+05, -1.597140162701e+05, -1.599381301481e+05, 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};
};
+
+using TabulatedDensity = TabulatedProperties<TabulatedDensityTraits>;
+using TabulatedEnthalpy = TabulatedProperties<TabulatedEnthalpyTraits>;
+
+// this class collects all the tabulated quantities in one convenient place
+struct CO2Tables
+{
+ static constexpr inline TabulatedEnthalpy tabulatedEnthalpy = {};
+ static constexpr inline TabulatedDensity tabulatedDensity = {};
+};
+} // end namespace Dumux::GeneratedCO2Tables
+
+#endif
diff --git a/test/porousmediumflow/co2/problem.hh b/test/porousmediumflow/co2/problem.hh
index 8c68a6699c2b5ea8dae7df585e158c10bb3b7ce4..d624ec153ab52d3c407afabfe2254716bd1f0f2c 100644
--- a/test/porousmediumflow/co2/problem.hh
+++ b/test/porousmediumflow/co2/problem.hh
@@ -38,7 +38,6 @@
#include <dumux/discretization/box/scvftoscvboundarytypes.hh>
#include <dumux/common/gridcapabilities.hh>
-#include "co2tables.hh"
namespace Dumux {
diff --git a/test/porousmediumflow/co2/properties.hh b/test/porousmediumflow/co2/properties.hh
index 030700fda0733f4ed46aab248096b3540b8e1f03..bc57810b9726b1f230e041211a45a49b1ff4c0ac 100644
--- a/test/porousmediumflow/co2/properties.hh
+++ b/test/porousmediumflow/co2/properties.hh
@@ -34,6 +34,7 @@
#include <dumux/material/components/tabulatedcomponent.hh>
#include <dumux/material/components/co2.hh>
+#include <dumux/material/components/defaultco2table.hh>
#include <dumux/material/components/h2o.hh>
#include <dumux/material/fluidsystems/brineco2.hh>
@@ -48,7 +49,6 @@
#include "problem.hh"
#include "spatialparams.hh"
-#include "co2tables.hh"
namespace Dumux::Properties {