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Refactor compositional multiphase fluid in preparation for thermal models #4058

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a0c8ec2
Use parameter pack for fluid phases
dkachuma May 14, 2026
a430e4a
std::tuple -> camp::tuple
dkachuma May 14, 2026
31c47af
Remove redundant check
dkachuma May 14, 2026
cd2b2c7
Copilot comment
dkachuma May 14, 2026
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dkachuma May 14, 2026
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25 changes: 7 additions & 18 deletions src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -1020,27 +1020,16 @@ MultiFluidBase::KernelWrapper::
integer const numPhase = numPhases();
integer const numComp = numComponents();

StackArray< real64, 4, maxNumDof *maxNumPhase, LAYOUT_PHASE_DC > dPhaseFrac( 1, 1, numPhase, numComp+2 );
MultiFluidVarSlice< real64, 1, USD_PHASE - 2, USD_PHASE_DC - 2 >
phaseFracAndDeriv { phaseFrac, dPhaseFrac[0][0] };

StackArray< real64, 4, maxNumDof *maxNumPhase, LAYOUT_PHASE_DC > dPhaseMassDens( 1, 1, numPhase, numComp+2 );
MultiFluidVarSlice< real64, 1, USD_PHASE - 2, USD_PHASE_DC - 2 >
phaseMassDensAndDeriv { phaseMassDens, dPhaseMassDens[0][0] };
// Space for dummy derivatives
StackArray< real64, 4, 2*maxNumDof *maxNumPhase, LAYOUT_PHASE_DC > derivatives( 2, 1, numPhase, numComp+2 );

StackArray< real64, 4, maxNumDof *maxNumPhase, LAYOUT_PHASE_DC > dPhaseEnthalpy( 1, 1, numPhase, numComp+2 );
MultiFluidVarSlice< real64, 1, USD_PHASE - 2, USD_PHASE_DC - 2 >
phaseEnthalpyAndDeriv { phaseEnthalpy, dPhaseEnthalpy[0][0] };

StackArray< real64, 4, maxNumDof *maxNumPhase, LAYOUT_PHASE_DC > dPhaseInternalEnergy( 1, 1, numPhase, numComp+2 );
MultiFluidVarSlice< real64, 1, USD_PHASE - 2, USD_PHASE_DC - 2 >
phaseInternalEnergyAndDeriv { phaseInternalEnergy, dPhaseInternalEnergy[0][0] };
using SliceType = MultiFluidVarSlice< real64, 1, USD_PHASE - 2, USD_PHASE_DC - 2 >;

computeInternalEnergy( pressure,
phaseFracAndDeriv,
phaseMassDensAndDeriv,
phaseEnthalpyAndDeriv,
phaseInternalEnergyAndDeriv );
SliceType { phaseFrac, derivatives[0][0] },
SliceType { phaseMassDens, derivatives[0][0] },
SliceType { phaseEnthalpy, derivatives[0][0] },
SliceType { phaseInternalEnergy, derivatives[1][0] } );
}

GEOS_HOST_DEVICE
Expand Down
125 changes: 64 additions & 61 deletions ...reComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -31,8 +31,8 @@ namespace geos
namespace constitutive
{

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::
template< typename FLASH, typename ... PHASES >
CompositionalMultiphaseFluid< FLASH, PHASES... >::
CompositionalMultiphaseFluid( string const & name, Group * const parent )
: MultiFluidBase( name, parent ),
m_componentProperties( std::make_unique< compositional::ComponentProperties >( m_componentNames, m_componentMolarWeight ) ),
Expand Down Expand Up @@ -76,8 +76,8 @@ CompositionalMultiphaseFluid( string const & name, Group * const parent )
.setRestartFlags( RestartFlags::NO_WRITE );
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
integer CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::getWaterPhaseIndex() const
template< typename FLASH, typename ... PHASES >
integer CompositionalMultiphaseFluid< FLASH, PHASES... >::getWaterPhaseIndex() const
{
auto const phaseTypes = getPhaseTypes();
integer const aqueous = static_cast< integer >(compositional::PhaseType::AQUEOUS);
Expand All @@ -91,25 +91,25 @@ integer CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::getWaterP
return -1;
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
string CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::catalogName()
template< typename FLASH, typename ... PHASES >
string CompositionalMultiphaseFluid< FLASH, PHASES... >::catalogName()
{
return GEOS_FMT( "Compositional{}Fluid{}",
FLASH::catalogName(),
PHASE1::Viscosity::catalogName() );
// Use the first phase viscosity
using ViscosityType = typename std::tuple_element_t< 0, std::tuple< PHASES... > >::Viscosity;
return GEOS_FMT( "Compositional{}Fluid{}", FLASH::catalogName(), ViscosityType::catalogName() );
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::initializeState() const
template< typename FLASH, typename ... PHASES >
void CompositionalMultiphaseFluid< FLASH, PHASES... >::initializeState() const
{
// Zero k-Values to force re-initialisation
m_kValues.zero();

MultiFluidBase::initializeState();
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::allocateConstitutiveData( Group & parent, localIndex const numPts )
template< typename FLASH, typename ... PHASES >
void CompositionalMultiphaseFluid< FLASH, PHASES... >::allocateConstitutiveData( Group & parent, localIndex const numPts )
{
m_kValues.resize( 0, numPts, numFluidPhases()-1, numFluidComponents() );

Expand All @@ -119,8 +119,8 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::allocateCons
m_kValues.zero();
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::postInputInitialization()
template< typename FLASH, typename ... PHASES >
void CompositionalMultiphaseFluid< FLASH, PHASES... >::postInputInitialization()
{
MultiFluidBase::postInputInitialization();

Expand Down Expand Up @@ -200,35 +200,41 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::postInputIni
m_parameters->postInputInitialization( this, *m_componentProperties );
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::initializePostSubGroups()
template< typename FLASH, typename ... PHASES >
void CompositionalMultiphaseFluid< FLASH, PHASES... >::initializePostSubGroups()
{
MultiFluidBase::initializePostSubGroups();

// Create the fluid models
createModels();
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
template< typename FLASH, typename ... PHASES >
std::unique_ptr< ConstitutiveBase >
CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::deliverClone( string const & name,
Group * const parent ) const
CompositionalMultiphaseFluid< FLASH, PHASES... >::deliverClone( string const & name,
Group * const parent ) const
{
std::unique_ptr< ConstitutiveBase > clone = MultiFluidBase::deliverClone( name, parent );
CompositionalMultiphaseFluid & newFluid = dynamicCast< CompositionalMultiphaseFluid & >( *clone );
newFluid.createModels();
return clone;
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
typename CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::KernelWrapper
CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createKernelWrapper()
template< typename FLASH, typename ... PHASES >
typename CompositionalMultiphaseFluid< FLASH, PHASES... >::KernelWrapper
CompositionalMultiphaseFluid< FLASH, PHASES... >::createKernelWrapper()
{
return createKernelWrapper( std::index_sequence_for< PHASES... >{} );
}

template< typename FLASH, typename ... PHASES >
template< std::size_t... Is >
typename CompositionalMultiphaseFluid< FLASH, PHASES... >::KernelWrapper
CompositionalMultiphaseFluid< FLASH, PHASES... >::createKernelWrapper( std::index_sequence< Is... > )
{
return KernelWrapper( *m_componentProperties,
*m_flash,
*m_phase1,
*m_phase2,
*m_phase3,
*std::get< Is >( m_phases )...,
m_phaseOrder.toViewConst(),
m_componentMolarWeight,
m_useMass,
Expand All @@ -244,8 +250,8 @@ CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createKernelWrapp
}

// Create the fluid models
template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createModels()
template< typename FLASH, typename ... PHASES >
void CompositionalMultiphaseFluid< FLASH, PHASES... >::createModels()
{
m_phaseType = getPhaseTypes();

Expand All @@ -258,24 +264,23 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createModels
*m_parameters,
m_phaseType.toViewConst() );

m_phase1 = std::make_unique< PHASE1 >( GEOS_FMT( "{}_PhaseModel1", getName() ),
*m_componentProperties,
0,
*m_parameters );

m_phase2 = std::make_unique< PHASE2 >( GEOS_FMT( "{}_PhaseModel2", getName() ),
*m_componentProperties,
1,
*m_parameters );
createPhaseModels( std::index_sequence_for< PHASES... >{} );
}

m_phase3 = std::make_unique< PHASE3 >( GEOS_FMT( "{}_PhaseModel3", getName() ),
*m_componentProperties,
2,
*m_parameters );
template< typename FLASH, typename ... PHASES >
template< std::size_t... Is >
void CompositionalMultiphaseFluid< FLASH, PHASES... >::createPhaseModels( std::index_sequence< Is... > )
{
m_phases = std::make_tuple(
std::make_unique< PHASES >( GEOS_FMT( "{}_PhaseModel{}", getName(), Is + 1 ),
*m_componentProperties,
Is,
*m_parameters )...
);
}

template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
array1d< integer > CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::getPhaseTypes() const
template< typename FLASH, typename ... PHASES >
array1d< integer > CompositionalMultiphaseFluid< FLASH, PHASES... >::getPhaseTypes() const
{
integer const numPhases = numFluidPhases();
array1d< integer > phaseTypes( numPhases );
Expand All @@ -287,44 +292,42 @@ array1d< integer > CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >
}

// Create the fluid models
template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
template< typename FLASH, typename ... PHASES >
std::unique_ptr< compositional::ModelParameters >
CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createModelParameters()
CompositionalMultiphaseFluid< FLASH, PHASES... >::createModelParameters()
{
std::unique_ptr< compositional::ModelParameters > parameters;
parameters = FLASH::createParameters( std::move( parameters ));
parameters = PHASE1::createParameters( std::move( parameters ));
parameters = PHASE2::createParameters( std::move( parameters ));
parameters = PHASE3::createParameters( std::move( parameters ));
((parameters = PHASES::createParameters( std::move( parameters ) )), ...);
return parameters;
}

// Explicit instantiation of the model template.
template class CompositionalMultiphaseFluid<
compositional::NegativeTwoPhaseFlashModel,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >;
compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity > >;
template class CompositionalMultiphaseFluid<
compositional::NegativeTwoPhaseFlashModel,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >;
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity > >;
template class CompositionalMultiphaseFluid<
compositional::NegativeTwoPhaseFlashModel,
compositional::PhaseModel< compositional::PhillipsBrineDensity, compositional::PhillipsBrineViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >;
compositional::PhaseModel< compositional::PhillipsBrineDensity, compositional::PhillipsBrineViscosity >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity > >;
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 > >;
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity >,
compositional::PhaseModel< compositional::ImmiscibleWaterDensity, compositional::ImmiscibleWaterViscosity > >;
template class CompositionalMultiphaseFluid<
compositional::KValueFlashModel< 2 >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >;
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity > >;
template class CompositionalMultiphaseFluid<
compositional::KValueFlashModel< 2 >,
compositional::PhaseModel< compositional::PhillipsBrineDensity, compositional::PhillipsBrineViscosity, compositional::NullModel >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >;
compositional::PhaseModel< compositional::PhillipsBrineDensity, compositional::PhillipsBrineViscosity >,
compositional::PhaseModel< compositional::CompositionalDensity, compositional::LohrenzBrayClarkViscosity > >;

REGISTER_CATALOG_ENTRY( ConstitutiveBase,
CompositionalTwoPhaseConstantViscosity,
Expand Down
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