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feat: Immiscible water model (#3236)
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@dkachuma
dkachuma authored Nov 19, 2024
1 parent 6b07357 commit 6d285d2
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Showing 20 changed files with 1,225 additions and 33 deletions.
4 changes: 4 additions & 0 deletions src/coreComponents/constitutive/CMakeLists.txt
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Expand Up @@ -97,8 +97,10 @@ set( constitutive_headers
fluid/multifluid/compositional/models/CriticalVolume.hpp
fluid/multifluid/compositional/models/EquationOfState.hpp
fluid/multifluid/compositional/models/FunctionBase.hpp
fluid/multifluid/compositional/models/ImmiscibleWaterDensity.hpp
fluid/multifluid/compositional/models/ImmiscibleWaterFlashModel.hpp
fluid/multifluid/compositional/models/ImmiscibleWaterParameters.hpp
fluid/multifluid/compositional/models/ImmiscibleWaterViscosity.hpp
fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp
fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp
fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp
Expand Down Expand Up @@ -242,8 +244,10 @@ set( constitutive_sources
fluid/multifluid/compositional/models/CompositionalDensity.cpp
fluid/multifluid/compositional/models/ConstantViscosity.cpp
fluid/multifluid/compositional/models/CriticalVolume.cpp
fluid/multifluid/compositional/models/ImmiscibleWaterDensity.cpp
fluid/multifluid/compositional/models/ImmiscibleWaterFlashModel.cpp
fluid/multifluid/compositional/models/ImmiscibleWaterParameters.cpp
fluid/multifluid/compositional/models/ImmiscibleWaterViscosity.cpp
fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp
fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp
fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp
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2 changes: 2 additions & 0 deletions src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp
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Expand Up @@ -53,6 +53,7 @@ void constitutiveUpdatePassThru( constitutive::MultiFluidBase const & fluid,
#if !defined(GEOS_DEVICE_COMPILE)
CO2BrineEzrokhiThermalFluid,
CompositionalTwoPhaseLohrenzBrayClarkViscosity,
CompositionalThreePhaseLohrenzBrayClarkViscosity,
#endif
CompositionalTwoPhaseConstantViscosity
>::execute( fluid, std::forward< LAMBDA >( lambda ) );
Expand All @@ -75,6 +76,7 @@ void constitutiveUpdatePassThru( constitutive::MultiFluidBase & fluid,
#if !defined(GEOS_DEVICE_COMPILE)
CO2BrineEzrokhiThermalFluid,
CompositionalTwoPhaseLohrenzBrayClarkViscosity,
CompositionalThreePhaseLohrenzBrayClarkViscosity,
#endif
CompositionalTwoPhaseConstantViscosity
>::execute( fluid, std::forward< LAMBDA >( lambda ) );
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44 changes: 42 additions & 2 deletions ...reComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp
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Expand Up @@ -22,6 +22,7 @@
#include "constitutive/fluid/multifluid/CO2Brine/functions/PVTFunctionHelpers.hpp"
#include "constitutive/fluid/multifluid/MultiFluidFields.hpp"
#include "codingUtilities/Utilities.hpp"
#include "common/format/StringUtilities.hpp"

namespace geos
{
Expand Down Expand Up @@ -51,6 +52,7 @@ CompositionalMultiphaseFluid( string const & name, Group * const parent )
m_parameters( createModelParameters() )
{
using InputFlags = dataRepository::InputFlags;
using RestartFlags = dataRepository::RestartFlags;

getWrapperBase( viewKeyStruct::componentNamesString() ).setInputFlag( InputFlags::REQUIRED );
getWrapperBase( viewKeyStruct::componentMolarWeightString() ).setInputFlag( InputFlags::REQUIRED );
Expand Down Expand Up @@ -80,13 +82,18 @@ CompositionalMultiphaseFluid( string const & name, Group * const parent )

// Link parameters specific to each model
m_parameters->registerParameters( this );

// Register extra wrappers to enable auto-cloning
registerWrapper( "phaseOrder", &m_phaseOrder )
.setSizedFromParent( 0 )
.setRestartFlags( RestartFlags::NO_WRITE );
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
integer CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::getWaterPhaseIndex() const
{
string const expectedWaterPhaseNames[] = { "water" };
return PVTProps::PVTFunctionHelpers::findName( m_phaseNames, expectedWaterPhaseNames, viewKeyStruct::phaseNamesString() );
integer const aqueous = static_cast< integer >(PhaseType::AQUEOUS);
return m_phaseOrder.size() > aqueous ? m_phaseOrder[aqueous] : -1;
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
Expand Down Expand Up @@ -170,6 +177,12 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::postInputIni
}
}

// Determine the phase ordering
m_phaseOrder.resize( 3 );
m_phaseOrder[PhaseType::LIQUID] = findPhaseIndex( "oil,liq,liquid" );
m_phaseOrder[PhaseType::VAPOUR] = findPhaseIndex( "gas,vap,vapor,vapour" );
m_phaseOrder[PhaseType::AQUEOUS] = findPhaseIndex( "wat,water,aqueous" );

m_parameters->postInputInitialization( this, *m_componentProperties );
}

Expand Down Expand Up @@ -210,6 +223,7 @@ CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createKernelWrapp
*m_phase1,
*m_phase2,
*m_phase3,
m_phaseOrder.toViewConst(),
m_componentMolarWeight,
m_useMass,
m_phaseFraction.toView(),
Expand Down Expand Up @@ -247,6 +261,22 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createModels
*m_parameters );
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
integer CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::findPhaseIndex( string names ) const
{
auto const nameContainer = stringutilities::tokenize( names, ",", true, false );

for( integer ip = 0; ip < numFluidPhases(); ++ip )
{
std::string const phaseName = stringutilities::toLower( m_phaseNames[ip] );
if( std::find( nameContainer.begin(), nameContainer.end(), phaseName ) != nameContainer.end())
{
return ip;
}
}
return -1;
}

// Create the fluid models
template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
std::unique_ptr< compositional::ModelParameters >
Expand All @@ -269,6 +299,11 @@ template class CompositionalMultiphaseFluid<
compositional::NegativeTwoPhaseFlashModel,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >;
template class CompositionalMultiphaseFluid<
compositional::ImmiscibleWaterFlashModel,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::ImmiscibleWaterDensity, compositional::ImmiscibleWaterViscosity, compositional::NullModel > >;

REGISTER_CATALOG_ENTRY( ConstitutiveBase,
CompositionalTwoPhaseConstantViscosity,
Expand All @@ -280,6 +315,11 @@ REGISTER_CATALOG_ENTRY( ConstitutiveBase,
string const &,
dataRepository::Group * const )

REGISTER_CATALOG_ENTRY( ConstitutiveBase,
CompositionalThreePhaseLohrenzBrayClarkViscosity,
string const &,
dataRepository::Group * const )

} // namespace constitutive

} // namespace geos
20 changes: 20 additions & 0 deletions ...reComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp
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Expand Up @@ -23,6 +23,9 @@
#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp"
#include "constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp"
#include "constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp"
#include "constitutive/fluid/multifluid/compositional/models/ImmiscibleWaterDensity.hpp"
#include "constitutive/fluid/multifluid/compositional/models/ImmiscibleWaterFlashModel.hpp"
#include "constitutive/fluid/multifluid/compositional/models/ImmiscibleWaterViscosity.hpp"
#include "constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp"
#include "constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp"
#include "constitutive/fluid/multifluid/compositional/models/ModelParameters.hpp"
Expand Down Expand Up @@ -110,15 +113,27 @@ class CompositionalMultiphaseFluid : public MultiFluidBase

virtual void resizeFields( localIndex const size, localIndex const numPts ) override;

enum PhaseType : integer
{
LIQUID = 0,
VAPOUR = 1,
AQUEOUS = 2,
};

private:
// Create the fluid models
void createModels();

integer findPhaseIndex( string names ) const;

static std::unique_ptr< compositional::ModelParameters > createModelParameters();

// Flash model
std::unique_ptr< FLASH > m_flash{};

// Phase ordering
array1d< integer > m_phaseOrder;

// Phase models
std::unique_ptr< PHASE1 > m_phase1{};
std::unique_ptr< PHASE2 > m_phase2{};
Expand All @@ -142,6 +157,11 @@ using CompositionalTwoPhaseLohrenzBrayClarkViscosity = CompositionalMultiphaseFl
compositional::NegativeTwoPhaseFlashModel,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >;
using CompositionalThreePhaseLohrenzBrayClarkViscosity = CompositionalMultiphaseFluid<
compositional::ImmiscibleWaterFlashModel,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::ImmiscibleWaterDensity, compositional::ImmiscibleWaterViscosity, compositional::NullModel > >;

} /* namespace constitutive */

Expand Down
66 changes: 36 additions & 30 deletions ...nents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -46,6 +46,7 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW
PHASE1 const & phase1,
PHASE2 const & phase2,
PHASE3 const & phase3,
arrayView1d< integer const > const & phaseOrder,
arrayView1d< real64 const > const & componentMolarWeight,
bool const useMass,
MultiFluidBase::PhaseProp::ViewType phaseFrac,
Expand Down Expand Up @@ -122,6 +123,9 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW
// Flash kernel wrapper
typename FLASH::KernelWrapper m_flash;

// The ordering of phases
arrayView1d< integer const > const m_phaseOrder;

// Phase model kernel wrappers
typename PHASE1::KernelWrapper m_phase1;
typename PHASE2::KernelWrapper m_phase2;
Expand All @@ -138,6 +142,7 @@ CompositionalMultiphaseFluidUpdates( compositional::ComponentProperties const &
PHASE1 const & phase1,
PHASE2 const & phase2,
PHASE3 const & phase3,
arrayView1d< integer const > const & phaseOrder,
arrayView1d< real64 const > const & componentMolarWeight,
bool const useMass,
MultiFluidBase::PhaseProp::ViewType phaseFrac,
Expand All @@ -161,6 +166,7 @@ CompositionalMultiphaseFluidUpdates( compositional::ComponentProperties const &
std::move( totalDensity ) ),
m_componentProperties( componentProperties.createKernelWrapper() ),
m_flash( flash.createKernelWrapper() ),
m_phaseOrder( phaseOrder ),
m_phase1( phase1.createKernelWrapper() ),
m_phase2( phase2.createKernelWrapper() ),
m_phase3( phase3.createKernelWrapper() ),
Expand Down Expand Up @@ -262,63 +268,63 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute(
m_phase1.density.compute( m_componentProperties,
pressure,
temperature,
phaseCompFrac.value[0].toSliceConst(),
phaseDens.value[0],
phaseDens.derivs[0],
phaseMassDensity.value[0],
phaseMassDensity.derivs[0],
phaseCompFrac.value[m_phaseOrder[0]].toSliceConst(),
phaseDens.value[m_phaseOrder[0]],
phaseDens.derivs[m_phaseOrder[0]],
phaseMassDensity.value[m_phaseOrder[0]],
phaseMassDensity.derivs[m_phaseOrder[0]],
m_useMass );
m_phase2.density.compute( m_componentProperties,
pressure,
temperature,
phaseCompFrac.value[1].toSliceConst(),
phaseDens.value[1],
phaseDens.derivs[1],
phaseMassDensity.value[1],
phaseMassDensity.derivs[1],
phaseCompFrac.value[m_phaseOrder[1]].toSliceConst(),
phaseDens.value[m_phaseOrder[1]],
phaseDens.derivs[m_phaseOrder[1]],
phaseMassDensity.value[m_phaseOrder[1]],
phaseMassDensity.derivs[m_phaseOrder[1]],
m_useMass );
if constexpr (2 < FLASH::KernelWrapper::getNumberOfPhases())
{
m_phase3.density.compute( m_componentProperties,
pressure,
temperature,
phaseCompFrac.value[2].toSliceConst(),
phaseDens.value[2],
phaseDens.derivs[2],
phaseMassDensity.value[2],
phaseMassDensity.derivs[2],
phaseCompFrac.value[m_phaseOrder[2]].toSliceConst(),
phaseDens.value[m_phaseOrder[2]],
phaseDens.derivs[m_phaseOrder[2]],
phaseMassDensity.value[m_phaseOrder[2]],
phaseMassDensity.derivs[m_phaseOrder[2]],
m_useMass );
}

// 4. Calculate the phase viscosities
m_phase1.viscosity.compute( m_componentProperties,
pressure,
temperature,
phaseCompFrac.value[0].toSliceConst(),
phaseMassDensity.value[0],
phaseMassDensity.derivs[0].toSliceConst(),
phaseVisc.value[0],
phaseVisc.derivs[0],
phaseCompFrac.value[m_phaseOrder[0]].toSliceConst(),
phaseMassDensity.value[m_phaseOrder[0]],
phaseMassDensity.derivs[m_phaseOrder[0]].toSliceConst(),
phaseVisc.value[m_phaseOrder[0]],
phaseVisc.derivs[m_phaseOrder[0]],
m_useMass );
m_phase2.viscosity.compute( m_componentProperties,
pressure,
temperature,
phaseCompFrac.value[1].toSliceConst(),
phaseMassDensity.value[1],
phaseMassDensity.derivs[1].toSliceConst(),
phaseVisc.value[1],
phaseVisc.derivs[1],
phaseCompFrac.value[m_phaseOrder[1]].toSliceConst(),
phaseMassDensity.value[m_phaseOrder[1]],
phaseMassDensity.derivs[m_phaseOrder[1]].toSliceConst(),
phaseVisc.value[m_phaseOrder[1]],
phaseVisc.derivs[m_phaseOrder[1]],
m_useMass );
if constexpr (2 < FLASH::KernelWrapper::getNumberOfPhases())
{
m_phase3.viscosity.compute( m_componentProperties,
pressure,
temperature,
phaseCompFrac.value[2].toSliceConst(),
phaseMassDensity.value[2],
phaseMassDensity.derivs[2].toSliceConst(),
phaseVisc.value[2],
phaseVisc.derivs[2],
phaseCompFrac.value[m_phaseOrder[2]].toSliceConst(),
phaseMassDensity.value[m_phaseOrder[2]],
phaseMassDensity.derivs[m_phaseOrder[2]].toSliceConst(),
phaseVisc.value[m_phaseOrder[2]],
phaseVisc.derivs[m_phaseOrder[2]],
m_useMass );
}

Expand Down
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