diff --git a/dumux/material/fluidstates/compositional.hh b/dumux/material/fluidstates/compositional.hh
index fd74eb89100ce1f4d13e686c08bfaf9ce099d01f..1ac12f3fdd564f68e4a972265f898235944a9b2c 100644
--- a/dumux/material/fluidstates/compositional.hh
+++ b/dumux/material/fluidstates/compositional.hh
@@ -56,7 +56,6 @@ public:
for (int compIdx = 0; compIdx < numComponents; ++compIdx)
{
moleFraction_[phaseIdx][compIdx] = 0;
- massFraction_[phaseIdx][compIdx] = 0;
}
averageMolarMass_[phaseIdx] = 0;
@@ -91,7 +90,14 @@ public:
* \brief The mass fraction of a component in a phase \f$\mathrm{[-]}\f$
*/
Scalar massFraction(int phaseIdx, int compIdx) const
- { return massFraction_[phaseIdx][compIdx]; }
+ {
+ // calculate the mass fractions:
+ // for "mass" models this is just a back calculation
+ return sumMoleFractions_[phaseIdx]
+ * moleFraction(phaseIdx, compIdx)
+ * FluidSystem::molarMass(compIdx)
+ / averageMolarMass_[phaseIdx];
+ }
/*!
* \brief The average molar mass of a fluid phase \f$\mathrm{[kg/mol]}\f$
@@ -289,15 +295,6 @@ public:
sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compJIdx];
averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compJIdx]*FluidSystem::molarMass(compJIdx);
}
-
- for (int compJIdx = 0; compJIdx < numComponents; ++compJIdx)
- {
- massFraction_[phaseIdx][compJIdx] =
- std::abs(sumMoleFractions_[phaseIdx])
- * moleFraction_[phaseIdx][compJIdx]
- * FluidSystem::molarMass(compJIdx)
- / std::max(1e-40, std::abs(averageMolarMass_[phaseIdx]));
- }
}
/*!
@@ -311,7 +308,6 @@ public:
Valgrind::SetDefined(sumMoleFractions_[phaseIdx]);
Valgrind::SetDefined(averageMolarMass_[phaseIdx]);
Valgrind::SetDefined(moleFraction_[phaseIdx][compIdx]);
- Valgrind::SetDefined(massFraction_[phaseIdx][compIdx]);
if (numComponents != 2)
DUNE_THROW(Dune::NotImplemented, "This currently only works for 2 components.");
@@ -323,11 +319,7 @@ public:
Scalar X2 = 1.0-value;
Scalar avgMolarMass = M1*M2/(M2 + X2*(M1 - M2));
- massFraction_[phaseIdx][compIdx] = value;
- massFraction_[phaseIdx][1-compIdx] = 1.0-value;
-
- moleFraction_[phaseIdx][compIdx] = massFraction_[phaseIdx][compIdx]
- * avgMolarMass / M1;
+ moleFraction_[phaseIdx][compIdx] = value * avgMolarMass / M1;
moleFraction_[phaseIdx][1-compIdx] = 1.0-moleFraction_[phaseIdx][compIdx];
// re-calculate the mean molar mass
@@ -400,7 +392,6 @@ public:
for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
Valgrind::CheckDefined(moleFraction_[phaseIdx][compIdx]);
- Valgrind::CheckDefined(massFraction_[phaseIdx][compIdx]);
Valgrind::CheckDefined(fugacityCoefficient_[phaseIdx][compIdx]);
}
Valgrind::CheckDefined(averageMolarMass_[phaseIdx]);
@@ -417,7 +408,6 @@ public:
protected:
Scalar moleFraction_[numPhases][numComponents];
- Scalar massFraction_[numPhases][numComponents];
Scalar fugacityCoefficient_[numPhases][numComponents];
Scalar averageMolarMass_[numPhases];
diff --git a/test/multidomain/2cnistokes2p2cni/CMakeLists.txt b/test/multidomain/2cnistokes2p2cni/CMakeLists.txt
index cf6d7c650e64ba3ba20995972ea1b1f866cd60df..648835335987fe306137088ebcaa81270133b8da 100644
--- a/test/multidomain/2cnistokes2p2cni/CMakeLists.txt
+++ b/test/multidomain/2cnistokes2p2cni/CMakeLists.txt
@@ -8,7 +8,7 @@ add_dumux_test(test_2cnistokes2p2cni test_2cnistokes2p2cni test_2cnistokes2p2cni
${CMAKE_CURRENT_BINARY_DIR}/stokes2cni-00008.vtu
${CMAKE_SOURCE_DIR}/test/references/2cnistokes2p2cni-pm-reference.vtu
${CMAKE_CURRENT_BINARY_DIR}/2p2cni-00008.vtu
- --zeroThreshold {"v":1e-7,"velocityN_0":5e-12,"velocityW_0":5e-10,"velocityW_1":5e-9})
+ --zeroThreshold {"v":1e-7,"velocityN_0":5e-11,"velocityW_0":5e-10,"velocityW_1":5e-9})
add_dumux_test(test_2cnistokes2p2cni_boundarylayer test_2cnistokes2p2cni test_2cnistokes2p2cni.cc
python ${CMAKE_SOURCE_DIR}/bin/runtest.py
@@ -18,7 +18,7 @@ add_dumux_test(test_2cnistokes2p2cni_boundarylayer test_2cnistokes2p2cni test_2c
${CMAKE_CURRENT_BINARY_DIR}/stokes2cni_boundarylayer-00009.vtu
${CMAKE_SOURCE_DIR}/test/references/2cnistokes2p2cniboundarylayer-pm-reference.vtu
${CMAKE_CURRENT_BINARY_DIR}/2p2cni_boundarylayer-00009.vtu
- --zeroThreshold {"v":1e-7,"velocityN_0":5e-12,"velocityW_0":1e-9,"velocityW_1":5e-9})
+ --zeroThreshold {"v":1e-7,"velocityN_0":5e-11,"velocityW_0":1e-9,"velocityW_1":5e-9})
#install sources
install(FILES
diff --git a/test/references/2cnistokes2p2cniboundarylayer-ff-reference.vtu b/test/references/2cnistokes2p2cniboundarylayer-ff-reference.vtu
index 40a4c5bb42f51d073e83547b9c226bfca27064c8..93d580ea1a30687f1e4ce335ef18b86cf98e84b7 100644
--- a/test/references/2cnistokes2p2cniboundarylayer-ff-reference.vtu
+++ b/test/references/2cnistokes2p2cniboundarylayer-ff-reference.vtu
@@ -24,7 +24,7 @@
0 0 0.00203022 0.00169113 0.00135307 0.00101496 0.000676669 0.00033832 0 0.0020249 0.00168645 0.00134971
0.00101226 0.000674928 0.000337434 0 0.00203043 0.00169167 0.00135338 0.00101491 0.000676635 0.000338305 0 0.00202712
0.00168831 0.00135073 0.00101277 0.000675254 0.000337629 0 0.00202988 0.00169127 0.00135299 0.00101457 0.000676386 0.000338197
- 0 0.00202749 0.00168909 0.00135121 0.00101317 0.000675484 0.000337744 0 0.0020284 0.00169001 0.00135195 0.00101373
+ 0 0.00202749 0.00168909 0.00135121 0.00101317 0.000675484 0.000337743 0 0.0020284 0.00169001 0.00135195 0.00101373
0.000675849 0.000337923 0
</DataArray>
<DataArray type="Float32" Name="x_gas^H2O" NumberOfComponents="1" format="ascii">
@@ -85,20 +85,20 @@
</DataArray>
<DataArray type="Float32" Name="v" NumberOfComponents="3" format="ascii">
0.000848729 6.69021e-05 0 0.000852973 6.62443e-05 0 0.809861 0 0 0.811316 -0.000106896 0
- 0.000856591 6.5898e-05 0 0.813041 -3.33132e-05 0 0.000856756 6.56703e-05 0 0.813394 4.22833e-05 0
- 0.000857352 6.54581e-05 0 0.81369 4.68624e-05 0 0.000857574 6.52413e-05 0 0.813732 5.93718e-05 0
- 0.000857666 6.52293e-05 0 0.813817 5.89186e-05 0 1.82383 0 0 1.82427 -0.00138601 0
- 1.82518 -0.000759835 0 1.82578 -0.000165394 0 1.82614 -9.76131e-05 0 1.8263 5.15844e-06 0
- 1.82641 3.74926e-05 0 2.89743 0 0 2.89719 -0.00112596 0 2.89709 -0.00103494 0
- 2.89742 -0.00053794 0 2.89766 -0.000270951 0 2.89782 -0.000110419 0 2.89791 -1.67384e-07 0
- 3.50134 0 0 3.50113 -0.00104744 0 3.50075 -0.00104572 0 3.50055 -0.000725559 0
- 3.50045 -0.000429293 0 3.50043 -0.000213374 0 3.50041 -3.09636e-05 0 2.89743 0 0
- 2.89713 -0.000254873 0 2.89659 -0.000352972 0 2.89622 -0.00027735 0 2.89594 -0.000170511 0
- 2.89582 -8.90168e-05 0 2.89574 -1.936e-05 0 1.82383 0 0 1.82366 -0.000132684 0
- 1.82334 -0.000144384 0 1.82306 -0.000124358 0 1.82284 -7.66361e-05 0 1.82274 -3.91816e-05 0
- 1.82267 -3.18417e-06 0 0.809861 0 0 0.809771 0.000145063 0 0.809618 9.07917e-05 0
- 0.809485 7.14696e-05 0 0.809369 4.66045e-05 0 0.809325 2.33659e-05 0 0.809289 1.80506e-06 0
- 0.00134 0 0 0.00134 0 0 0.00134 -6.78679e-38 0 0.00134 0 0
+ 0.000856591 6.5898e-05 0 0.813041 -3.33126e-05 0 0.000856756 6.56703e-05 0 0.813394 4.22835e-05 0
+ 0.000857352 6.54581e-05 0 0.81369 4.6862e-05 0 0.000857574 6.52413e-05 0 0.813732 5.93728e-05 0
+ 0.000857666 6.52293e-05 0 0.813817 5.89136e-05 0 1.82383 0 0 1.82427 -0.00138601 0
+ 1.82518 -0.000759834 0 1.82578 -0.000165394 0 1.82614 -9.76138e-05 0 1.8263 5.16159e-06 0
+ 1.82641 3.74822e-05 0 2.89743 0 0 2.89719 -0.00112596 0 2.89709 -0.00103494 0
+ 2.89742 -0.000537939 0 2.89766 -0.000270951 0 2.89782 -0.000110417 0 2.89791 -1.79549e-07 0
+ 3.50134 0 0 3.50113 -0.00104743 0 3.50075 -0.00104572 0 3.50055 -0.000725558 0
+ 3.50045 -0.000429293 0 3.50043 -0.000213375 0 3.50041 -3.0973e-05 0 2.89743 0 0
+ 2.89713 -0.000254869 0 2.89659 -0.000352971 0 2.89622 -0.000277349 0 2.89594 -0.000170512 0
+ 2.89582 -8.90184e-05 0 2.89574 -1.93664e-05 0 1.82383 0 0 1.82366 -0.000132683 0
+ 1.82334 -0.000144384 0 1.82306 -0.000124357 0 1.82284 -7.66369e-05 0 1.82274 -3.91831e-05 0
+ 1.82267 -3.1855e-06 0 0.809861 0 0 0.809771 0.000145064 0 0.809618 9.07919e-05 0
+ 0.809485 7.14699e-05 0 0.809369 4.66046e-05 0 0.809325 2.33654e-05 0 0.809289 1.80559e-06 0
+ 0.00134 0 0 0.00134 0 0 0.00134 4.62834e-37 0 0.00134 0 0
0.00134 0 0 0.00134 0 0 0.00134 0 0
</DataArray>
</PointData>
diff --git a/test/references/2cnistokes2p2cniboundarylayer-pm-reference.vtu b/test/references/2cnistokes2p2cniboundarylayer-pm-reference.vtu
index 1f7f61229a98fa6aba62e947378f07007110ba7a..7006126ebb72844f842d8e55171be50d5ada163f 100644
--- a/test/references/2cnistokes2p2cniboundarylayer-pm-reference.vtu
+++ b/test/references/2cnistokes2p2cniboundarylayer-pm-reference.vtu
@@ -4,14 +4,14 @@
<Piece NumberOfCells="24" NumberOfPoints="35">
<PointData Scalars="Sn" Vectors="velocityW">
<DataArray type="Float32" Name="Sn" NumberOfComponents="1" format="ascii">
- 0.0100962 0.0100962 0.0103542 0.0103542 0.0100962 0.0103541 0.0100962 0.0103541 0.0100962 0.0103541 0.0100962 0.0103541
+ 0.0100962 0.0100962 0.0103542 0.0103542 0.0100962 0.0103542 0.0100962 0.0103541 0.0100962 0.0103541 0.0100962 0.0103541
0.0100962 0.0103541 0.0136457 0.0136457 0.0136457 0.0136457 0.0136457 0.0136457 0.0136457 0.0300134 0.0300133 0.0300132
0.0300132 0.0300131 0.0300131 0.030013 0.15567 0.155669 0.155669 0.155669 0.155669 0.155669 0.155669
</DataArray>
<DataArray type="Float32" Name="Sw" NumberOfComponents="1" format="ascii">
0.989904 0.989904 0.989646 0.989646 0.989904 0.989646 0.989904 0.989646 0.989904 0.989646 0.989904 0.989646
0.989904 0.989646 0.986354 0.986354 0.986354 0.986354 0.986354 0.986354 0.986354 0.969987 0.969987 0.969987
- 0.969987 0.969987 0.969987 0.969987 0.84433 0.844331 0.844331 0.844331 0.844331 0.844331 0.844331
+ 0.969987 0.969987 0.969987 0.969987 0.84433 0.844331 0.844331 0.84433 0.84433 0.844331 0.844331
</DataArray>
<DataArray type="Float32" Name="pn" NumberOfComponents="1" format="ascii">
101179 101179 100209 100209 101179 100209 101179 100209 101179 100209 101179 100209
@@ -24,8 +24,8 @@
99017 99017 99017 99017 98715.9 98715.9 98715.9 98715.9 98715.9 98715.9 98715.9
</DataArray>
<DataArray type="Float32" Name="pc" NumberOfComponents="1" format="ascii">
- 17.4519 17.4517 63.3257 63.3267 17.4514 63.3225 17.4518 63.3202 17.4513 63.3181 17.4512 63.3168
- 17.4513 63.3151 532.36 532.359 532.359 532.358 532.358 532.357 532.357 983.379 983.379 983.378
+ 17.4515 17.4516 63.3261 63.3248 17.4518 63.3243 17.4516 63.3202 17.4512 63.3172 17.4513 63.3158
+ 17.4514 63.3158 532.36 532.359 532.359 532.358 532.358 532.357 532.357 983.379 983.379 983.378
983.378 983.378 983.378 983.377 1284.13 1284.13 1284.13 1284.13 1284.13 1284.13 1284.13
</DataArray>
<DataArray type="Float32" Name="rhoW" NumberOfComponents="1" format="ascii">
@@ -39,14 +39,14 @@
1.16082 1.16084 1.16085 1.16085 1.16537 1.1654 1.16544 1.16547 1.1655 1.16552 1.16554
</DataArray>
<DataArray type="Float32" Name="mobW" NumberOfComponents="1" format="ascii">
- 1123.57 1123.57 1121.58 1121.57 1123.57 1121.57 1123.57 1121.57 1123.57 1121.57 1123.57 1121.57
- 1123.57 1121.57 1110.06 1110.06 1110.04 1110.02 1110 1109.98 1109.98 1060.7 1060.65 1060.57
+ 1123.57 1123.57 1121.58 1121.58 1123.57 1121.57 1123.57 1121.57 1123.57 1121.57 1123.57 1121.57
+ 1123.57 1121.57 1110.06 1110.05 1110.04 1110.02 1110 1109.98 1109.98 1060.7 1060.65 1060.57
1060.49 1060.42 1060.37 1060.34 614.273 614.164 614.052 613.953 613.866 613.792 613.738
</DataArray>
<DataArray type="Float32" Name="mobN" NumberOfComponents="1" format="ascii">
- 0.000310652 0.000310644 0.00469843 0.00469859 0.000310632 0.00469793 0.000310647 0.00469756 0.000310628 0.00469724 0.000310625 0.00469703
- 0.000310628 0.00469675 0.604802 0.6048 0.604799 0.604798 0.604798 0.604797 0.604795 20.9933 20.9931 20.9931
- 20.9932 20.9932 20.9931 20.993 1292.53 1292.54 1292.56 1292.58 1292.59 1292.6 1292.61
+ 0.000310636 0.00031064 0.00469849 0.00469829 0.000310646 0.00469821 0.00031064 0.00469756 0.000310624 0.00469708 0.000310629 0.00469687
+ 0.000310632 0.00469687 0.604801 0.6048 0.604799 0.604799 0.604798 0.604797 0.604795 20.9933 20.9931 20.9931
+ 20.9932 20.9932 20.9931 20.993 1292.53 1292.55 1292.56 1292.58 1292.59 1292.6 1292.61
</DataArray>
<DataArray type="Float32" Name="X_liquid^H2O" NumberOfComponents="1" format="ascii">
0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978
@@ -54,13 +54,13 @@
0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978 0.999978
</DataArray>
<DataArray type="Float32" Name="X_liquid^Air" NumberOfComponents="1" format="ascii">
- 2.18092e-05 2.18092e-05 2.16227e-05 2.16227e-05 2.18092e-05 2.16227e-05 2.18092e-05 2.16227e-05 2.18092e-05 2.16227e-05 2.18092e-05 2.16228e-05
+ 2.18092e-05 2.18092e-05 2.16226e-05 2.16227e-05 2.18092e-05 2.16227e-05 2.18092e-05 2.16227e-05 2.18092e-05 2.16227e-05 2.18092e-05 2.16228e-05
2.18092e-05 2.16228e-05 2.17329e-05 2.1733e-05 2.17333e-05 2.17336e-05 2.17339e-05 2.17341e-05 2.17341e-05 2.20832e-05 2.2084e-05 2.20853e-05
2.20866e-05 2.20877e-05 2.20885e-05 2.2089e-05 2.24795e-05 2.24826e-05 2.24858e-05 2.24886e-05 2.24911e-05 2.24932e-05 2.24948e-05
</DataArray>
<DataArray type="Float32" Name="X_gas^H2O" NumberOfComponents="1" format="ascii">
- 0.0197216 0.0197216 0.019822 0.0198218 0.0197216 0.0198219 0.0197216 0.0198218 0.0197216 0.0198217 0.0197216 0.0198216
- 0.0197216 0.0198216 0.0193764 0.0193762 0.0193752 0.0193743 0.0193734 0.0193728 0.0193726 0.0183488 0.0183467 0.018343
+ 0.0197216 0.0197216 0.019822 0.0198219 0.0197216 0.0198218 0.0197216 0.0198218 0.0197216 0.0198217 0.0197216 0.0198216
+ 0.0197216 0.0198216 0.0193764 0.019376 0.0193753 0.0193743 0.0193734 0.0193728 0.0193726 0.0183488 0.0183467 0.018343
0.0183395 0.0183364 0.0183339 0.0183327 0.0172823 0.0172743 0.0172661 0.0172588 0.0172525 0.0172471 0.017243
</DataArray>
<DataArray type="Float32" Name="X_gas^Air" NumberOfComponents="1" format="ascii">
@@ -74,13 +74,13 @@
0.999986 0.999986 0.999986 0.999986 0.999986 0.999986 0.999986 0.999986 0.999986 0.999986 0.999986
</DataArray>
<DataArray type="Float32" Name="x_liquid^Air" NumberOfComponents="1" format="ascii">
- 1.3567e-05 1.3567e-05 1.34509e-05 1.3451e-05 1.3567e-05 1.3451e-05 1.3567e-05 1.3451e-05 1.3567e-05 1.3451e-05 1.3567e-05 1.3451e-05
- 1.3567e-05 1.3451e-05 1.35195e-05 1.35196e-05 1.35198e-05 1.352e-05 1.35201e-05 1.35202e-05 1.35203e-05 1.37375e-05 1.37379e-05 1.37387e-05
+ 1.3567e-05 1.3567e-05 1.34509e-05 1.34509e-05 1.3567e-05 1.3451e-05 1.3567e-05 1.3451e-05 1.3567e-05 1.3451e-05 1.3567e-05 1.3451e-05
+ 1.3567e-05 1.3451e-05 1.35195e-05 1.35196e-05 1.35197e-05 1.352e-05 1.35201e-05 1.35202e-05 1.35203e-05 1.37375e-05 1.37379e-05 1.37387e-05
1.37395e-05 1.37402e-05 1.37408e-05 1.3741e-05 1.3984e-05 1.39859e-05 1.39879e-05 1.39896e-05 1.39912e-05 1.39925e-05 1.39935e-05
</DataArray>
<DataArray type="Float32" Name="x_gas^H2O" NumberOfComponents="1" format="ascii">
- 0.0313277 0.0313277 0.0314853 0.0314851 0.0313277 0.0314851 0.0313277 0.031485 0.0313277 0.0314849 0.0313277 0.0314848
- 0.0313277 0.0314847 0.0307858 0.0307855 0.0307839 0.0307824 0.0307811 0.0307802 0.0307798 0.0291712 0.0291679 0.0291621
+ 0.0313277 0.0313277 0.0314853 0.0314853 0.0313277 0.031485 0.0313277 0.031485 0.0313277 0.0314849 0.0313277 0.0314848
+ 0.0313277 0.0314847 0.0307858 0.0307852 0.030784 0.0307824 0.0307811 0.0307802 0.0307798 0.0291711 0.0291679 0.0291621
0.0291565 0.0291516 0.0291477 0.0291458 0.0274932 0.0274805 0.0274677 0.0274563 0.0274463 0.0274377 0.0274314
</DataArray>
<DataArray type="Float32" Name="x_gas^Air" NumberOfComponents="1" format="ascii">
@@ -94,8 +94,8 @@
0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
</DataArray>
<DataArray type="Float32" Name="temperature" NumberOfComponents="1" format="ascii">
- 298.15 298.15 298.073 298.073 298.15 298.073 298.15 298.072 298.15 298.072 298.15 298.072
- 298.15 298.072 297.662 297.662 297.661 297.66 297.659 297.659 297.658 296.764 296.762 296.759
+ 298.15 298.15 298.073 298.073 298.15 298.072 298.15 298.072 298.15 298.072 298.15 298.072
+ 298.15 298.072 297.662 297.661 297.661 297.66 297.659 297.659 297.658 296.764 296.762 296.759
296.756 296.753 296.751 296.75 295.785 295.777 295.769 295.763 295.757 295.751 295.748
</DataArray>
<DataArray type="Float32" Name="phase presence" NumberOfComponents="1" format="ascii">
@@ -104,26 +104,26 @@
3 3 3 3 3 3 3 3 3 3 3
</DataArray>
<DataArray type="Float32" Name="velocityW" NumberOfComponents="3" format="ascii">
- -1.02245e-10 -4.09402e-10 0 -1.77242e-10 -4.77321e-10 0 -1.57385e-10 -1.92304e-09 0 -2.86731e-10 -2.04364e-09 0
- -2.98173e-10 -5.49714e-10 0 -4.61988e-10 -2.28247e-09 0 -3.41017e-10 -6.71965e-10 0 -4.9123e-10 -2.53505e-09 0
- -2.90751e-10 -7.81813e-10 0 -4.08242e-10 -2.74944e-09 0 -1.66001e-10 -8.57562e-10 0 -2.34338e-10 -2.90968e-09 0
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index fcb9be64fea2e542d2cebae4de70ce42001af1d5..8bd8d53396226add9f3721edf6abf242f839d2a6 100644
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