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feat: Add immiscible water flash model (#3237)
* Add immiscible water flash model
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104 changes: 104 additions & 0 deletions
104
...mponents/constitutive/fluid/multifluid/compositional/models/ImmiscibleWaterFlashModel.cpp
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| /* | ||
| * ------------------------------------------------------------------------------------------------------------ | ||
| * SPDX-License-Identifier: LGPL-2.1-only | ||
| * | ||
| * Copyright (c) 2016-2024 Lawrence Livermore National Security LLC | ||
| * Copyright (c) 2018-2024 Total, S.A | ||
| * Copyright (c) 2018-2024 The Board of Trustees of the Leland Stanford Junior University | ||
| * Copyright (c) 2018-2024 Chevron | ||
| * Copyright (c) 2019- GEOS/GEOSX Contributors | ||
| * All rights reserved | ||
| * | ||
| * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. | ||
| * ------------------------------------------------------------------------------------------------------------ | ||
| */ | ||
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| /** | ||
| * @file ImmiscibleWaterFlashModel.cpp | ||
| */ | ||
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| #include "ImmiscibleWaterFlashModel.hpp" | ||
| #include "ImmiscibleWaterParameters.hpp" | ||
| #include "EquationOfState.hpp" | ||
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| namespace geos | ||
| { | ||
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| namespace constitutive | ||
| { | ||
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| namespace compositional | ||
| { | ||
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| // Naming conventions | ||
| string ImmiscibleWaterFlashModel::catalogName() | ||
| { | ||
| return "ThreePhase"; | ||
| } | ||
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| ImmiscibleWaterFlashModel::ImmiscibleWaterFlashModel( string const & name, | ||
| ComponentProperties const & componentProperties, | ||
| ModelParameters const & modelParameters ): | ||
| FunctionBase( name, componentProperties ), | ||
| m_parameters( modelParameters ) | ||
| { | ||
| m_waterComponentIndex = ImmiscibleWaterParameters::getWaterComponentIndex( componentProperties ); | ||
| } | ||
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| ImmiscibleWaterFlashModel::KernelWrapper | ||
| ImmiscibleWaterFlashModel::createKernelWrapper() const | ||
| { | ||
| constexpr integer liquidIndex = 0; | ||
| constexpr integer vapourIndex = 1; | ||
| constexpr integer aqueousIndex = 2; | ||
| EquationOfState const * equationOfState = m_parameters.get< EquationOfState >(); | ||
| EquationOfStateType const liquidEos = EnumStrings< EquationOfStateType >::fromString( equationOfState->m_equationsOfStateNames[liquidIndex] ); | ||
| EquationOfStateType const vapourEos = EnumStrings< EquationOfStateType >::fromString( equationOfState->m_equationsOfStateNames[vapourIndex] ); | ||
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| array1d< real64 > componentCriticalVolume( m_componentProperties.getNumberOfComponents()); | ||
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| return KernelWrapper( m_componentProperties.getNumberOfComponents(), | ||
| liquidIndex, | ||
| vapourIndex, | ||
| aqueousIndex, | ||
| m_waterComponentIndex, | ||
| liquidEos, | ||
| vapourEos, | ||
| componentCriticalVolume ); | ||
| } | ||
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| ImmiscibleWaterFlashModelUpdate::ImmiscibleWaterFlashModelUpdate( | ||
| integer const numComponents, | ||
| integer const liquidIndex, | ||
| integer const vapourIndex, | ||
| integer const aqueousIndex, | ||
| integer const waterComponentIndex, | ||
| EquationOfStateType const liquidEos, | ||
| EquationOfStateType const vapourEos, | ||
| arrayView1d< real64 const > const componentCriticalVolume ): | ||
| m_twoPhaseModel( numComponents, | ||
| liquidIndex, | ||
| vapourIndex, | ||
| liquidEos, | ||
| vapourEos, | ||
| componentCriticalVolume ), | ||
| m_numComponents( numComponents ), | ||
| m_liquidIndex( liquidIndex ), | ||
| m_vapourIndex( vapourIndex ), | ||
| m_aquoesIndex( aqueousIndex ), | ||
| m_waterComponentIndex( waterComponentIndex ) | ||
| {} | ||
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| std::unique_ptr< ModelParameters > | ||
| ImmiscibleWaterFlashModel::createParameters( std::unique_ptr< ModelParameters > parameters ) | ||
| { | ||
| auto params = NegativeTwoPhaseFlashModel::createParameters( std::move( parameters ) ); | ||
| params = ImmiscibleWaterParameters::create( std::move( params ) ); | ||
| return params; | ||
| } | ||
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| } // end namespace compositional | ||
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| } // namespace constitutive | ||
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| } // end namespace geos |
212 changes: 212 additions & 0 deletions
212
...mponents/constitutive/fluid/multifluid/compositional/models/ImmiscibleWaterFlashModel.hpp
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,212 @@ | ||
| /* | ||
| * ------------------------------------------------------------------------------------------------------------ | ||
| * SPDX-License-Identifier: LGPL-2.1-only | ||
| * | ||
| * Copyright (c) 2016-2024 Lawrence Livermore National Security LLC | ||
| * Copyright (c) 2018-2024 Total, S.A | ||
| * Copyright (c) 2018-2024 The Board of Trustees of the Leland Stanford Junior University | ||
| * Copyright (c) 2018-2024 Chevron | ||
| * Copyright (c) 2019- GEOS/GEOSX Contributors | ||
| * All rights reserved | ||
| * | ||
| * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. | ||
| * ------------------------------------------------------------------------------------------------------------ | ||
| */ | ||
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| /** | ||
| * @file ImmiscibleWaterFlashModel.hpp | ||
| */ | ||
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| #ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_IMMISCIBLEWATERFLASHMODEL_HPP_ | ||
| #define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_IMMISCIBLEWATERFLASHMODEL_HPP_ | ||
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| #include "FunctionBase.hpp" | ||
| #include "EquationOfState.hpp" | ||
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| #include "constitutive/fluid/multifluid/Layouts.hpp" | ||
| #include "constitutive/fluid/multifluid/MultiFluidUtils.hpp" | ||
| #include "NegativeTwoPhaseFlashModel.hpp" | ||
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| namespace geos | ||
| { | ||
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| namespace constitutive | ||
| { | ||
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| namespace compositional | ||
| { | ||
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| class ModelParameters; | ||
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| class ImmiscibleWaterFlashModelUpdate final : public FunctionBaseUpdate | ||
| { | ||
| private: | ||
| static constexpr integer maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; | ||
| public: | ||
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| using PhaseProp = NegativeTwoPhaseFlashModelUpdate::PhaseProp; | ||
| using PhaseComp = NegativeTwoPhaseFlashModelUpdate::PhaseComp; | ||
| using Deriv = multifluid::DerivativeOffset; | ||
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| ImmiscibleWaterFlashModelUpdate( integer const numComponents, | ||
| integer const liquidIndex, | ||
| integer const vapourIndex, | ||
| integer const aqueousIndex, | ||
| integer const waterComponentIndex, | ||
| EquationOfStateType const liquidEos, | ||
| EquationOfStateType const vapourEos, | ||
| arrayView1d< real64 const > const componentCriticalVolume ); | ||
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| // Mark as a 3-phase flash | ||
| GEOS_HOST_DEVICE | ||
| static constexpr integer getNumberOfPhases() { return 3; } | ||
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| template< int USD1, int USD2 > | ||
| GEOS_HOST_DEVICE | ||
| void compute( ComponentProperties::KernelWrapper const & componentProperties, | ||
| real64 const & pressure, | ||
| real64 const & temperature, | ||
| arraySlice1d< real64 const, USD1 > const & compFraction, | ||
| arraySlice2d< real64, USD2 > const & kValues, | ||
| PhaseProp::SliceType const phaseFraction, | ||
| PhaseComp::SliceType const phaseCompFraction ) const; | ||
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| private: | ||
| template< int USD > | ||
| GEOS_FORCE_INLINE | ||
| GEOS_HOST_DEVICE | ||
| void convertCompositionDerivatives( real64 const hcMoleFraction, | ||
| arraySlice1d< real64 const > const & composition, | ||
| arraySlice1d< real64, USD > const & derivatives ) const | ||
| { | ||
| real64 dvdzi = 0.0; | ||
| for( integer ic = 0; ic < m_numComponents; ++ic ) | ||
| { | ||
| dvdzi += derivatives[Deriv::dC+ic] * composition[ic]; | ||
| } | ||
| for( integer ic = 0; ic < m_numComponents; ++ic ) | ||
| { | ||
| derivatives[Deriv::dC+ic] /= hcMoleFraction; | ||
| } | ||
| derivatives[Deriv::dC+m_waterComponentIndex] = dvdzi / hcMoleFraction; | ||
| } | ||
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| private: | ||
| NegativeTwoPhaseFlashModel::KernelWrapper const m_twoPhaseModel; | ||
| integer const m_numComponents; | ||
| integer const m_liquidIndex; | ||
| integer const m_vapourIndex; | ||
| integer const m_aquoesIndex; | ||
| integer const m_waterComponentIndex; | ||
| }; | ||
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| class ImmiscibleWaterFlashModel : public FunctionBase | ||
| { | ||
| public: | ||
| ImmiscibleWaterFlashModel( string const & name, | ||
| ComponentProperties const & componentProperties, | ||
| ModelParameters const & modelParameters ); | ||
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| static string catalogName(); | ||
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| FunctionType functionType() const override | ||
| { | ||
| return FunctionType::FLASH; | ||
| } | ||
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| /// Type of kernel wrapper for in-kernel update | ||
| using KernelWrapper = ImmiscibleWaterFlashModelUpdate; | ||
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| /** | ||
| * @brief Create an update kernel wrapper. | ||
| * @return the wrapper | ||
| */ | ||
| KernelWrapper createKernelWrapper() const; | ||
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| // Create parameters unique to this model | ||
| static std::unique_ptr< ModelParameters > createParameters( std::unique_ptr< ModelParameters > parameters ); | ||
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| private: | ||
| ModelParameters const & m_parameters; | ||
| integer m_waterComponentIndex{-1}; | ||
| }; | ||
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| template< int USD1, int USD2 > | ||
| GEOS_HOST_DEVICE | ||
| void ImmiscibleWaterFlashModelUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, | ||
| real64 const & pressure, | ||
| real64 const & temperature, | ||
| arraySlice1d< real64 const, USD1 > const & compFraction, | ||
| arraySlice2d< real64, USD2 > const & kValues, | ||
| PhaseProp::SliceType const phaseFraction, | ||
| PhaseComp::SliceType const phaseCompFraction ) const | ||
| { | ||
| LvArray::forValuesInSlice( phaseFraction.value, setZero ); | ||
| LvArray::forValuesInSlice( phaseFraction.derivs, setZero ); | ||
| LvArray::forValuesInSlice( phaseCompFraction.value, setZero ); | ||
| LvArray::forValuesInSlice( phaseCompFraction.derivs, setZero ); | ||
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| // Water phase | ||
| phaseFraction.value[m_aquoesIndex] = compFraction[m_waterComponentIndex]; | ||
| phaseFraction.derivs( m_aquoesIndex, Deriv::dC + m_waterComponentIndex ) = 1.0; | ||
| phaseCompFraction.value( m_aquoesIndex, m_waterComponentIndex ) = 1.0; | ||
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| // Total hydrocarbon mole fraction | ||
| real64 const z_hc = 1.0 - compFraction[m_waterComponentIndex]; | ||
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| if( z_hc < MultiFluidConstants::minForSpeciesPresence ) | ||
| { | ||
| // Single phase water | ||
| real64 const constantComposition = 1.0 / (m_numComponents - 1); | ||
| for( integer ic = 0; ic < m_numComponents; ++ic ) | ||
| { | ||
| phaseCompFraction.value( m_liquidIndex, ic ) = constantComposition; | ||
| phaseCompFraction.value( m_vapourIndex, ic ) = constantComposition; | ||
| } | ||
| phaseCompFraction.value( m_liquidIndex, m_waterComponentIndex ) = 0.0; | ||
| phaseCompFraction.value( m_vapourIndex, m_waterComponentIndex ) = 0.0; | ||
| } | ||
| else | ||
| { | ||
| // Hydrocarbon phases | ||
|
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| // Calculate normalised hyrdocarbon composition | ||
| stackArray1d< real64, maxNumComps > composition( m_numComponents ); | ||
| for( integer ic = 0; ic < m_numComponents; ++ic ) | ||
| { | ||
| composition[ic] = compFraction[ic] / z_hc; | ||
| } | ||
| composition[m_waterComponentIndex] = 0.0; | ||
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| // Perform negative two-phase flash | ||
| m_twoPhaseModel.compute( componentProperties, | ||
| pressure, | ||
| temperature, | ||
| composition.toSliceConst(), | ||
| kValues, | ||
| phaseFraction, | ||
| phaseCompFraction ); | ||
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| for( integer const phaseIndex : {m_liquidIndex, m_vapourIndex} ) | ||
| { | ||
| real64 const v = phaseFraction.value[phaseIndex]; | ||
| phaseFraction.value[phaseIndex] *= z_hc; | ||
| LvArray::forValuesInSlice( phaseFraction.derivs[phaseIndex], [&]( real64 & a ){ a *= z_hc; } ); | ||
| convertCompositionDerivatives( z_hc, composition.toSliceConst(), phaseFraction.derivs[phaseIndex] ); | ||
| phaseFraction.derivs( phaseIndex, Deriv::dC+m_waterComponentIndex ) = -v; | ||
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| for( integer ic = 0; ic < m_numComponents; ++ic ) | ||
| { | ||
| convertCompositionDerivatives( z_hc, composition.toSliceConst(), phaseCompFraction.derivs[phaseIndex][ic] ); | ||
| } | ||
| } | ||
| } | ||
| } | ||
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| } // end namespace compositional | ||
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| } // end namespace constitutive | ||
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| } // end namespace geos | ||
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| #endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_IMMISCIBLEWATERFLASHMODEL_HPP_ |
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