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Activate fluid models #3123

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merged 13 commits into from
Jun 4, 2024
Merged

Activate fluid models #3123

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6e8283f
Activate fluid models
dkachuma May 13, 2024
14beec1
Add test
dkachuma May 13, 2024
737ff72
Fix pvt driver
dkachuma May 13, 2024
e436089
Remove test case
dkachuma May 14, 2024
6d0acbd
Restore ats file
dkachuma May 14, 2024
dbcff11
Merge branch 'develop' into feature/dkachuma/activate-fluid-models
dkachuma May 14, 2024
92b23a8
Change to GEOS_DEVICE_COMPILE
dkachuma May 17, 2024
b3ab756
Merge branch 'develop' into feature/dkachuma/activate-fluid-models
dkachuma May 17, 2024
e0207eb
Add flash check
dkachuma May 17, 2024
119e06b
Merge branch 'develop' into feature/dkachuma/activate-fluid-models
dkachuma May 21, 2024
c13026b
Merge branch 'develop' into feature/dkachuma/activate-fluid-models
dkachuma Jun 3, 2024
ae8d197
Merge branch 'develop' into feature/dkachuma/activate-fluid-models
paveltomin Jun 4, 2024
9449600
Merge branch 'develop' into feature/dkachuma/activate-fluid-models
paveltomin Jun 4, 2024
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30 changes: 16 additions & 14 deletions src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -41,18 +41,19 @@ void constitutiveUpdatePassThru( MultiFluidBase const & fluid,
{
ConstitutivePassThruHandler< DeadOilFluid,
BlackOilFluid,
CompositionalTwoPhasePengRobinsonConstantViscosity,
CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity,
// CompositionalTwoPhasePengRobinsonLBCViscosity,
// CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity,
#ifdef GEOSX_USE_PVTPackage
CompositionalMultiphaseFluidPVTPackage,
#endif
CO2BrinePhillipsFluid,
CO2BrineEzrokhiFluid,
CO2BrinePhillipsThermalFluid
// ,CO2BrineEzrokhiThermalFluid "Uncommenting this will lead to compiler segfault. Need to split compilation
// units for all the options"
CO2BrinePhillipsThermalFluid,
#if !defined(GEOSX_DEVICE_COMPILE)
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CO2BrineEzrokhiThermalFluid,
CompositionalTwoPhasePengRobinsonLBCViscosity,
CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity,
#endif
CompositionalTwoPhasePengRobinsonConstantViscosity,
CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity
>::execute( fluid, std::forward< LAMBDA >( lambda ) );
}

Expand All @@ -62,18 +63,19 @@ void constitutiveUpdatePassThru( MultiFluidBase & fluid,
{
ConstitutivePassThruHandler< DeadOilFluid,
BlackOilFluid,
CompositionalTwoPhasePengRobinsonConstantViscosity,
CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity,
// CompositionalTwoPhasePengRobinsonLBCViscosity,
// CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity,
#ifdef GEOSX_USE_PVTPackage
CompositionalMultiphaseFluidPVTPackage,
#endif
CO2BrinePhillipsFluid,
CO2BrineEzrokhiFluid,
CO2BrinePhillipsThermalFluid
//,CO2BrineEzrokhiThermalFluid "Uncommenting this will lead to compiler segfault. Need to split compilation
// units for all the options"
CO2BrinePhillipsThermalFluid,
#if !defined(GEOSX_DEVICE_COMPILE)
CO2BrineEzrokhiThermalFluid,
CompositionalTwoPhasePengRobinsonLBCViscosity,
CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity,
#endif
CompositionalTwoPhasePengRobinsonConstantViscosity,
CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity
>::execute( fluid, std::forward< LAMBDA >( lambda ) );
}

Expand Down
4 changes: 4 additions & 0 deletions src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp
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Expand Up @@ -309,6 +309,10 @@ void PVTDriver::compareWithBaseline()
{
headerRows++;
}
if( m_outputMassDensity )
{
headerRows++;
}
if( m_outputPhaseComposition )
{
headerRows += getFluid().numFluidPhases();
Expand Down
30 changes: 2 additions & 28 deletions ...omponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp
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Expand Up @@ -93,27 +93,14 @@ struct NegativeTwoPhaseFlash
}

bool kValueReset = true;
constexpr real64 boundsTolerance = 1.0e-3;
constexpr real64 boundsTolerance = MultiFluidConstants::SSITolerance;
if( needInitialisation )
{
KValueInitialization::computeWilsonGasLiquidKvalue( numComps,
pressure,
temperature,
componentProperties,
kVapourLiquid );/**
vapourPhaseMoleFraction = RachfordRice::solve(
kVapourLiquid.toSliceConst(), composition, presentComponents
);
if( vapourPhaseMoleFraction < -boundsTolerance ||
vapourPhaseMoleFraction > 1.0 + boundsTolerance )
{
kValueReset = true;
KValueInitialization::computeConstantLiquidKvalue( numComps,
pressure,
temperature,
componentProperties,
kVapourLiquid );
}*/
kVapourLiquid );
}

vapourPhaseMoleFraction = RachfordRice::solve( kVapourLiquid.toSliceConst(), composition, presentComponents );
Expand Down Expand Up @@ -164,20 +151,7 @@ struct NegativeTwoPhaseFlash
kVapourLiquid[ic] *= exp( fugacityRatios[ic] );
}
}
//std::cout
//<< std::setw(3) << iterationCount << " "
//<< std::setw(12) << pressure << " "
//<< std::setw(10) << temperature << " "
//<< std::setw(15) << error << " "
//<< std::setw(15) << vapourPhaseMoleFraction << " ";
//for( integer const ic : {0,1,8} )
//{
// std::cout << std::setw(15) << kVapourLiquid[ic] << " ";
//}
//std::cout
//<< "\n";
}
//std::cout << "================================================================================\n";

// Retrieve physical bounds from negative flash values
if( vapourPhaseMoleFraction < MultiFluidConstants::epsilon )
Expand Down
5 changes: 1 addition & 4 deletions ...ponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp
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Expand Up @@ -64,7 +64,7 @@
integer const numDofs = 2 + m_numComponents;

// Iterative solve to converge flash
bool const flashStatus = NegativeTwoPhaseFlash::compute< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >(
NegativeTwoPhaseFlash::compute< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >(

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src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp#L67 

Added line #L67 was not covered by tests
m_numComponents,
pressure,
temperature,
Expand All @@ -74,9 +74,6 @@
phaseFraction.value[m_vapourIndex],
phaseCompFraction.value[m_liquidIndex],
phaseCompFraction.value[m_vapourIndex] );
GEOS_UNUSED_VAR( flashStatus );
//GEOS_ERROR_IF( !flashStatus,
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// GEOS_FMT( "Negative two phase flash failed to converge {:.5e} {:.3f}", pressure, temperature ));

// Calculate derivatives
NegativeTwoPhaseFlash::computeDerivatives< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >(
Expand Down
1 change: 1 addition & 0 deletions src/coreComponents/unitTests/constitutiveTests/CMakeLists.txt
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Expand Up @@ -24,6 +24,7 @@ set( gtest_pvt_xmls
testPVT_CO2Brine.xml
testPVT_CO2BrineTables.xml
testPVT_PhaseComposition.xml
testPVT_Compositional.xml
)

set( gtest_reactivefluid_xmls
Expand Down
8 changes: 4 additions & 4 deletions src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional.xml
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Expand Up @@ -12,7 +12,7 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
output="testPVT_Compositional_liveOilPR.txt"
baseline="testPVT_Compositional_liveOilPR.txt"
logLevel="1"/>
<PVTDriver
name="testLiveOilPRLBC"
Expand All @@ -24,7 +24,7 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
output="testPVT_Compositional_liveOilPRLBC.txt"
baseline="testPVT_Compositional_liveOilPRLBC.txt"
logLevel="1"/>
<PVTDriver
name="testLiveOilSRK"
Expand All @@ -36,7 +36,7 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
output="testPVT_Compositional_liveOilSRK.txt"
baseline="testPVT_Compositional_liveOilSRK.txt"
logLevel="1"/>
<PVTDriver
name="testLiveOilSRKLBC"
Expand All @@ -48,7 +48,7 @@
outputMassDensity="1"
outputCompressibility="1"
outputPhaseComposition="1"
output="testPVT_Compositional_liveOilSRKLBC.txt"
baseline="testPVT_Compositional_liveOilSRKLBC.txt"
logLevel="1"/>
</Tasks>

Expand Down
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