diff --git a/src/coreComponents/constitutive/CMakeLists.txt b/src/coreComponents/constitutive/CMakeLists.txt index 28ff5208229..7420efea9d3 100644 --- a/src/coreComponents/constitutive/CMakeLists.txt +++ b/src/coreComponents/constitutive/CMakeLists.txt @@ -62,6 +62,7 @@ set( constitutive_headers fluid/multifluid/CO2Brine/functions/SpanWagnerCO2Density.hpp fluid/multifluid/CO2Brine/functions/WaterDensity.hpp fluid/multifluid/compositional/functions/CompositionalProperties.hpp + fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp fluid/multifluid/compositional/functions/KValueInitialization.hpp fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp @@ -70,6 +71,8 @@ set( constitutive_headers fluid/multifluid/compositional/models/CompositionalDensity.hpp fluid/multifluid/compositional/models/ConstantViscosity.hpp fluid/multifluid/compositional/models/FunctionBase.hpp + fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp + fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp fluid/multifluid/compositional/models/NullModel.hpp fluid/multifluid/compositional/models/PhaseModel.hpp @@ -214,13 +217,16 @@ set( constitutive_sources fluid/multifluid/CO2Brine/functions/CO2EOSSolver.cpp fluid/multifluid/CO2Brine/functions/PureWaterProperties.cpp fluid/multifluid/CO2Brine/functions/WaterDensity.cpp - fluid/multifluid/compositional/functions/CompositionalProperties.cpp fluid/multifluid/compositional/models/CompositionalDensity.cpp fluid/multifluid/compositional/models/ConstantViscosity.cpp + fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.cpp - fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp fluid/multifluid/reactive/ReactiveBrineFluid.cpp fluid/multifluid/reactive/ReactiveMultiFluid.cpp fluid/multifluid/reactive/ReactiveFluidDriver.cpp @@ -253,10 +259,10 @@ set( constitutive_sources relativePermeability/VanGenuchtenStone2RelativePermeability.cpp relativePermeability/RelpermDriver.cpp relativePermeability/RelpermDriverBrooksCoreyBakerRunTest.cpp - relativePermeability/RelpermDriverBrooksCoreyStone2RunTest.cpp + relativePermeability/RelpermDriverBrooksCoreyStone2RunTest.cpp relativePermeability/RelpermDriverBrooksCoreyRunTest.cpp relativePermeability/RelpermDriverVanGenuchtenBakerRunTest.cpp - relativePermeability/RelpermDriverVanGenuchtenStone2RunTest.cpp + relativePermeability/RelpermDriverVanGenuchtenStone2RunTest.cpp relativePermeability/RelpermDriverTableRelativeRunTest.cpp relativePermeability/RelpermDriverTableRelativeHysteresisRunTest.cpp solid/CompressibleSolid.cpp @@ -300,7 +306,8 @@ if( ENABLE_PVTPackage ) set( constitutive_sources ${constitutive_sources} - fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp ) + fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp ) add_subdirectory( PVTPackage ) diff --git a/src/coreComponents/constitutive/docs/PVTDriver.rst b/src/coreComponents/constitutive/docs/PVTDriver.rst index c0b46436a7d..ae9563480c1 100644 --- a/src/coreComponents/constitutive/docs/PVTDriver.rst +++ b/src/coreComponents/constitutive/docs/PVTDriver.rst @@ -107,6 +107,7 @@ In this case, we have a two-phase, two-component mixture. The total density is reported in column 4, while phase fractions, phase densities, and phase viscosities are reported in subsequent columns. If the ``outputCompressibility`` flag is activated, an extra column will be added for the total fluid compressibility after the density. This is defined as :math:`c_t=\frac{1}{\rho_t}\left(\partial{\rho_t}/\partial P\right)` where :math:`\rho_t` is the total density. +If the ``outputMassDensity`` flag is activated, extra columns will be added for the mass density of each phase. The number of columns will also depend on whether the ``outputPhaseComposition`` flag is activated or not. If it is activated, there will be an extra column for the mole fraction of each component in each phase. The phase order will match the one defined in the input XML (here, the co2-rich phase followed by the water-rich phase). This file can be readily plotted using any number of plotting tools. Each row corresponds to one timestep of the driver, starting from initial conditions in the first row. diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp index 4f69f3efa17..24055925e16 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp @@ -49,7 +49,7 @@ struct MultiFluidConstants /** * @brief Max number of SSI iterations */ - static constexpr integer maxSSIIterations = 200; + static constexpr integer maxSSIIterations = 1000; /** * @brief Max number of Newton iterations diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp index 6eeb7e4dd79..b7a71a3d9ca 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp @@ -43,6 +43,8 @@ void constitutiveUpdatePassThru( MultiFluidBase const & fluid, BlackOilFluid, CompositionalTwoPhasePengRobinsonConstantViscosity, CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity, +// CompositionalTwoPhasePengRobinsonLBCViscosity, +// CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity, #ifdef GEOSX_USE_PVTPackage CompositionalMultiphaseFluidPVTPackage, #endif @@ -62,6 +64,8 @@ void constitutiveUpdatePassThru( MultiFluidBase & fluid, BlackOilFluid, CompositionalTwoPhasePengRobinsonConstantViscosity, CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity, +// CompositionalTwoPhasePengRobinsonLBCViscosity, +// CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity, #ifdef GEOSX_USE_PVTPackage CompositionalMultiphaseFluidPVTPackage, #endif diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp index 6f3db3ca97f..e911cc5260e 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp @@ -63,6 +63,8 @@ struct MultiFluidVarSlice internal::ArraySliceOrRef< T, DIM, USD > value; /// variable value internal::ArraySliceOrRef< T, DIM + 1, USD_DC > derivs; /// derivative w.r.t. pressure, temperature, compositions + + using ValueType = internal::ArraySliceOrRef< T, DIM, USD >; }; /** @@ -87,13 +89,15 @@ struct MultiFluidVarView ArrayView< T, NDIM + 1, USD_DC > const & derivsSrc ): value( valueSrc ), derivs( derivsSrc ) - {}; + {} ArrayView< T, NDIM, USD > value; ///< View into property values ArrayView< T, NDIM + 1, USD_DC > derivs; ///< View into property derivatives w.r.t. pressure, temperature, compositions using SliceType = MultiFluidVarSlice< T, NDIM - 2, USD - 2, USD_DC - 2 >; + using ValueType = ArrayView< T, NDIM, USD >; + GEOS_HOST_DEVICE SliceType operator()( localIndex const k, localIndex const q ) const { @@ -119,6 +123,12 @@ struct MultiFluidVar using SliceType = typename ViewType::SliceType; using SliceTypeConst = typename ViewTypeConst::SliceType; + using ValueType = Array< real64, NDIM, PERM >; + template< int MAXSIZE > + using StackValueType = StackArray< real64, NDIM, MAXSIZE, PERM >; + using ViewValueType = typename ViewType::ValueType; + using SliceValueType = typename SliceType::ValueType; + ViewType toView() { return { value.toView(), derivs.toView() }; diff --git a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp index ebee0639d42..b77ee54e653 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp @@ -61,6 +61,11 @@ PVTDriver::PVTDriver( const string & name, setInputFlag( InputFlags::REQUIRED ). setDescription( "Function controlling temperature time history" ); + registerWrapper( viewKeyStruct::outputMassDensityString(), &m_outputMassDensity ). + setInputFlag( InputFlags::OPTIONAL ). + setApplyDefaultValue( 0 ). + setDescription( "Flag to indicate that the mass density of each phase should be output" ); + registerWrapper( viewKeyStruct::outputCompressibilityString(), &m_outputCompressibility ). setInputFlag( InputFlags::OPTIONAL ). setApplyDefaultValue( 0 ). @@ -90,6 +95,10 @@ PVTDriver::PVTDriver( const string & name, void PVTDriver::postProcessInput() { // Validate some inputs + GEOS_ERROR_IF( m_outputMassDensity != 0 && m_outputMassDensity != 1, + getWrapperDataContext( viewKeyStruct::outputMassDensityString() ) << + ": option can be either 0 (false) or 1 (true)" ); + GEOS_ERROR_IF( m_outputCompressibility != 0 && m_outputCompressibility != 1, getWrapperDataContext( viewKeyStruct::outputCompressibilityString() ) << ": option can be either 0 (false) or 1 (true)" ); @@ -112,6 +121,12 @@ void PVTDriver::postProcessInput() // Default column order = time, pressure, temp, totalDensity, phaseFraction_{1:NP}, phaseDensity_{1:NP}, phaseViscosity_{1:NP} integer numCols = 3*m_numPhases+4; + // If the mass density is requested then add NP columns + if( m_outputMassDensity != 0 ) + { + numCols += m_numPhases; + } + // If the total compressibility is requested then add a column if( m_outputCompressibility != 0 ) { @@ -185,6 +200,7 @@ bool PVTDriver::execute( real64 const GEOS_UNUSED_PARAM( time_n ), GEOS_LOG_RANK_0( " Steps .................. " << m_numSteps ); GEOS_LOG_RANK_0( " Output ................. " << m_outputFile ); GEOS_LOG_RANK_0( " Baseline ............... " << m_baselineFile ); + GEOS_LOG_RANK_0( " Output Mass Density .... " << m_outputMassDensity ); GEOS_LOG_RANK_0( " Output Compressibility . " << m_outputCompressibility ); GEOS_LOG_RANK_0( " Output Phase Comp. ..... " << m_outputPhaseComposition ); } @@ -248,6 +264,11 @@ void PVTDriver::outputResults() columnIndex += m_numPhases; fprintf( fp, "# columns %d-%d = phase densities\n", columnIndex+1, columnIndex + m_numPhases ); columnIndex += m_numPhases; + if( m_outputMassDensity != 0 ) + { + fprintf( fp, "# columns %d-%d = phase mass densities\n", columnIndex+1, columnIndex + m_numPhases ); + columnIndex += m_numPhases; + } fprintf( fp, "# columns %d-%d = phase viscosities\n", columnIndex+1, columnIndex + m_numPhases ); columnIndex += m_numPhases; diff --git a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp index ed1c763571c..c81814ac5fd 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp @@ -90,6 +90,7 @@ class PVTDriver : public TaskBase constexpr static char const * outputString() { return "output"; } constexpr static char const * baselineString() { return "baseline"; } constexpr static char const * feedString() { return "feedComposition"; } + constexpr static char const * outputMassDensityString() { return "outputMassDensity"; } constexpr static char const * outputCompressibilityString() { return "outputCompressibility"; } constexpr static char const * outputPhaseCompositionString() { return "outputPhaseComposition"; } }; @@ -102,6 +103,7 @@ class PVTDriver : public TaskBase string m_pressureFunctionName; ///< Time-dependent function controlling pressure string m_temperatureFunctionName; ///< Time-dependent function controlling temperature string m_outputFile; ///< Output file (optional, no output if not specified) + integer m_outputMassDensity{0}; ///< Flag to indicate that the mass density of each phase should be output integer m_outputCompressibility{0}; ///< Flag to indicate that the total compressibility should be output integer m_outputPhaseComposition{0}; ///< Flag to indicate that phase compositions should be output diff --git a/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp b/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp index da522d27913..8035817461c 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp @@ -63,17 +63,23 @@ void PVTDriver::runTest( FLUID_TYPE & fluid, arrayView2d< real64 > const & table // perform fluid update using table (P,T) and save resulting total density, etc. // note: column indexing should be kept consistent with output file header below. + bool const outputMassDensity = (m_outputMassDensity != 0); + bool const outputCompressibility = (m_outputCompressibility != 0); + bool const outputPhaseComposition = (m_outputPhaseComposition != 0); + integer const numSteps = m_numSteps; - integer const outputCompressibility = m_outputCompressibility; - integer const outputPhaseComposition = m_outputPhaseComposition; using ExecPolicy = typename FLUID_TYPE::exec_policy; forAll< ExecPolicy >( composition.size( 0 ), - [ outputCompressibility, outputPhaseComposition, numPhases, numComponents, numSteps, kernelWrapper, - table, composition] + [outputMassDensity, outputCompressibility, outputPhaseComposition, + numPhases, numComponents, numSteps, kernelWrapper, + table, composition] GEOS_HOST_DEVICE ( localIndex const i ) { // Index for start of phase properties - integer const PHASE = outputCompressibility != 0 ? TEMP + 3 : TEMP + 2; + integer const PHASE_FRACTION = outputCompressibility ? TEMP + 3 : TEMP + 2; + integer const PHASE_DENSITY = PHASE_FRACTION + numPhases; + integer const PHASE_VISCOSITY = outputMassDensity ? PHASE_DENSITY + 2*numPhases : PHASE_DENSITY + numPhases; + integer const PHASE_COMP = PHASE_VISCOSITY + numPhases; // Temporary space for phase mole fractions stackArray1d< real64, constitutive::MultiFluidBase::MAX_NUM_COMPONENTS > phaseComposition( numComponents ); @@ -83,22 +89,29 @@ void PVTDriver::runTest( FLUID_TYPE & fluid, arrayView2d< real64 > const & table kernelWrapper.update( i, 0, table( n, PRES ), table( n, TEMP ), composition[i] ); table( n, TEMP + 1 ) = kernelWrapper.totalDensity()( i, 0 ); - if( outputCompressibility != 0 ) + if( outputCompressibility ) { table( n, TEMP + 2 ) = kernelWrapper.totalCompressibility( i, 0 ); } for( integer p = 0; p < numPhases; ++p ) { - table( n, PHASE + p ) = kernelWrapper.phaseFraction()( i, 0, p ); - table( n, PHASE + p + numPhases ) = kernelWrapper.phaseDensity()( i, 0, p ); - table( n, PHASE + p + 2 * numPhases ) = kernelWrapper.phaseViscosity()( i, 0, p ); + table( n, PHASE_FRACTION + p ) = kernelWrapper.phaseFraction()( i, 0, p ); + table( n, PHASE_DENSITY + p ) = kernelWrapper.phaseDensity()( i, 0, p ); + table( n, PHASE_VISCOSITY + p ) = kernelWrapper.phaseViscosity()( i, 0, p ); + } + if( outputMassDensity ) + { + for( integer p = 0; p < numPhases; ++p ) + { + table( n, PHASE_DENSITY + numPhases + p ) = kernelWrapper.phaseMassDensity()( i, 0, p ); + } } - if( outputPhaseComposition != 0 ) + if( outputPhaseComposition ) { for( integer p = 0; p < numPhases; ++p ) { - integer const compStartIndex = PHASE + 3 * numPhases + p * numComponents; + integer const compStartIndex = PHASE_COMP + p * numComponents; kernelWrapper.phaseCompMoleFraction( i, 0, p, phaseComposition ); for( integer ic = 0; ic < numComponents; ++ic ) diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp index 9f9ec01ffbb..ac083badbd2 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp @@ -19,11 +19,26 @@ #include "CompositionalMultiphaseFluid.hpp" #include "constitutive/fluid/multifluid/CO2Brine/functions/PVTFunctionHelpers.hpp" +#include "constitutive/fluid/multifluid/MultiFluidFields.hpp" #include "codingUtilities/Utilities.hpp" namespace geos { +namespace fields +{ +namespace multifluid +{ +DECLARE_FIELD( kValues, + "kValues", + array4dLayoutPhaseComp, + 0, + NOPLOT, + WRITE_AND_READ, + "Phase equilibrium ratios" ); +} +} + namespace constitutive { @@ -61,6 +76,8 @@ CompositionalMultiphaseFluid( string const & name, Group * const parent ) registerWrapper( viewKeyStruct::componentBinaryCoeffString(), &m_componentBinaryCoeff ). setInputFlag( InputFlags::OPTIONAL ). setDescription( "Table of binary interaction coefficients" ); + + registerField( fields::multifluid::kValues{}, &m_kValues ); } template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -81,12 +98,22 @@ template<> struct PhaseName< 3 > { static constexpr char const * catalogName() { template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > string CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::catalogName() { - return GEOS_FMT( "Compositonal{}Fluid{}{}", + return GEOS_FMT( "Compositional{}Fluid{}{}", compositional::PhaseName< FLASH::KernelWrapper::getNumberOfPhases() >::catalogName(), FLASH::catalogName(), PHASE1::Viscosity::catalogName() ); } +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::allocateConstitutiveData( dataRepository::Group & parent, + localIndex const numConstitutivePointsPerParentIndex ) +{ + MultiFluidBase::allocateConstitutiveData( parent, numConstitutivePointsPerParentIndex ); + + // Zero k-Values to force initialisation with Wilson k-Values + m_kValues.zero(); +} + template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::postProcessInput() { @@ -133,6 +160,30 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::postProcessI m_componentBinaryCoeff.zero(); } checkInputSize( m_componentBinaryCoeff, NC * NC, viewKeyStruct::componentBinaryCoeffString() ); + + // Binary interaction coefficients should be symmetric and have zero diagonal + GEOS_THROW_IF_NE_MSG( m_componentBinaryCoeff.size( 0 ), NC, + GEOS_FMT( "{}: invalid number of values in attribute '{}'", getFullName(), viewKeyStruct::componentBinaryCoeffString() ), + InputError ); + GEOS_THROW_IF_NE_MSG( m_componentBinaryCoeff.size( 1 ), NC, + GEOS_FMT( "{}: invalid number of values in attribute '{}'", getFullName(), viewKeyStruct::componentBinaryCoeffString() ), + InputError ); + for( integer ic = 0; ic < NC; ++ic ) + { + GEOS_THROW_IF_GT_MSG( LvArray::math::abs( m_componentBinaryCoeff( ic, ic )), MultiFluidConstants::epsilon, + GEOS_FMT( "{}: {} entry at ({},{}) is {}: should be zero", getFullName(), viewKeyStruct::componentBinaryCoeffString(), + ic, ic, m_componentBinaryCoeff( ic, ic ) ), + InputError ); + for( integer jc = ic + 1; jc < NC; ++jc ) + { + real64 const difference = LvArray::math::abs( m_componentBinaryCoeff( ic, jc )-m_componentBinaryCoeff( jc, ic )); + GEOS_THROW_IF_GT_MSG( difference, MultiFluidConstants::epsilon, + GEOS_FMT( "{}: {} entry at ({},{}) is {} and is different from entry at ({},{}) which is {}", + getFullName(), viewKeyStruct::componentBinaryCoeffString(), + ic, jc, m_componentBinaryCoeff( ic, jc ), jc, ic, m_componentBinaryCoeff( jc, ic ) ), + InputError ); + } + } } template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -144,6 +195,14 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::initializePo createModels(); } +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::resizeFields( localIndex const size, localIndex const numPts ) +{ + MultiFluidBase::resizeFields( size, numPts ); + + m_kValues.resize( size, numPts, numFluidPhases()-1, numFluidComponents() ); +} + template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > std::unique_ptr< ConstitutiveBase > CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::deliverClone( string const & name, @@ -157,7 +216,6 @@ template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > typename CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::KernelWrapper CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createKernelWrapper() { - //auto phaseModels = std::make_tuple((m_phases)...); return KernelWrapper( *m_componentProperties, *m_flash, *m_phase1, @@ -172,7 +230,8 @@ CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createKernelWrapp m_phaseEnthalpy.toView(), m_phaseInternalEnergy.toView(), m_phaseCompFraction.toView(), - m_totalDensity.toView() ); + m_totalDensity.toView(), + m_kValues.toView() ); } // Create the fluid models @@ -218,12 +277,20 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::calculateCri // Explicit instantiation of the model template. template class CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashPRPR, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel > >; +template class CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashSRKSRK, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel > >; +template class CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashPRPR, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; template class CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashSRKSRK, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; REGISTER_CATALOG_ENTRY( ConstitutiveBase, CompositionalTwoPhasePengRobinsonConstantViscosity, @@ -235,6 +302,16 @@ REGISTER_CATALOG_ENTRY( ConstitutiveBase, string const &, dataRepository::Group * const ) +REGISTER_CATALOG_ENTRY( ConstitutiveBase, + CompositionalTwoPhasePengRobinsonLBCViscosity, + string const &, + dataRepository::Group * const ) + +REGISTER_CATALOG_ENTRY( ConstitutiveBase, + CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity, + string const &, + dataRepository::Group * const ) + } // namespace constitutive } // namespace geos diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp index 2f2ddf4a790..57cbe7e7919 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp @@ -22,6 +22,7 @@ #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/LohrenzBrayClarkViscosity.hpp" #include "constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp" #include "constitutive/fluid/multifluid/compositional/models/NullModel.hpp" #include "constitutive/fluid/multifluid/compositional/models/PhaseModel.hpp" @@ -77,6 +78,9 @@ class CompositionalMultiphaseFluid : public MultiFluidBase GEOS_UNUSED_VAR( pressure, temperature ); } + virtual void allocateConstitutiveData( dataRepository::Group & parent, + localIndex const numConstitutivePointsPerParentIndex ) override; + virtual integer getWaterPhaseIndex() const override final; struct viewKeyStruct : MultiFluidBase::viewKeyStruct @@ -104,6 +108,8 @@ class CompositionalMultiphaseFluid : public MultiFluidBase virtual void initializePostSubGroups() override; + virtual void resizeFields( localIndex const size, localIndex const numPts ) override; + private: /** * @brief Estimate critical volumes using Ihmels' (2010) correlation @@ -137,16 +143,27 @@ class CompositionalMultiphaseFluid : public MultiFluidBase array1d< real64 > m_componentAcentricFactor; array1d< real64 > m_componentVolumeShift; array2d< real64 > m_componentBinaryCoeff; + + // backup data + PhaseComp::ValueType m_kValues; }; -using CompositionalTwoPhasePengRobinsonConstantViscosity = CompositionalMultiphaseFluid< +using CompositionalTwoPhasePengRobinsonConstantViscosity = CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashPRPR, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel > >; +using CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity = CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashSRKSRK, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel > >; +using CompositionalTwoPhasePengRobinsonLBCViscosity = CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashPRPR, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; -using CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity = CompositionalMultiphaseFluid< + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; +using CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity = CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashSRKSRK, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; } /* namespace constitutive */ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp index 2a6faab23b4..17948157954 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp @@ -45,6 +45,10 @@ CompositionalMultiphaseFluidPVTPackage::CompositionalMultiphaseFluidPVTPackage( setInputFlag( InputFlags::REQUIRED ). setDescription( "List of equation of state types for each phase" ); + registerWrapper( viewKeyStruct::constantPhaseViscosityString(), &m_constantPhaseViscosity ). + setInputFlag( InputFlags::OPTIONAL ). + setDescription( "Viscosity for each phase" ); + registerWrapper( viewKeyStruct::componentCriticalPressureString(), &m_componentCriticalPressure ). setInputFlag( InputFlags::REQUIRED ). setDescription( "Component critical pressures" ); @@ -104,7 +108,16 @@ void CompositionalMultiphaseFluidPVTPackage::postProcessInput() checkInputSize( m_componentCriticalPressure, NC, viewKeyStruct::componentCriticalPressureString() ); checkInputSize( m_componentCriticalTemperature, NC, viewKeyStruct::componentCriticalTemperatureString() ); checkInputSize( m_componentAcentricFactor, NC, viewKeyStruct::componentAcentricFactorString() ); - checkInputSize( m_equationsOfState, NP, viewKeyStruct::equationsOfStateString() ); + + if( m_constantPhaseViscosity.empty() ) + { + m_constantPhaseViscosity.resize( NP ); + for( integer ip = 0; ip < NP; ++ip ) + { + m_constantPhaseViscosity[ip] = 0.001; // Default value = 1 cP + } + } + checkInputSize( m_constantPhaseViscosity, NP, viewKeyStruct::constantPhaseViscosityString() ); if( m_componentVolumeShift.empty() ) { @@ -167,6 +180,7 @@ CompositionalMultiphaseFluidPVTPackage::deliverClone( string const & name, CompositionalMultiphaseFluidPVTPackage::KernelWrapper:: KernelWrapper( pvt::MultiphaseSystem & fluid, arrayView1d< pvt::PHASE_TYPE > const & phaseTypes, + arrayView1d< geos::real64 const > const & constantPhaseViscosity, arrayView1d< geos::real64 const > const & componentMolarWeight, bool useMass, PhaseProp::ViewType phaseFraction, @@ -188,7 +202,8 @@ CompositionalMultiphaseFluidPVTPackage::KernelWrapper:: std::move( phaseCompFraction ), std::move( totalDensity ) ), m_fluid( fluid ), - m_phaseTypes( phaseTypes ) + m_phaseTypes( phaseTypes ), + m_constantPhaseViscosity( constantPhaseViscosity ) {} CompositionalMultiphaseFluidPVTPackage::KernelWrapper @@ -196,6 +211,7 @@ CompositionalMultiphaseFluidPVTPackage::createKernelWrapper() { return KernelWrapper( *m_fluid, m_phaseTypes, + m_constantPhaseViscosity, m_componentMolarWeight, m_useMass, m_phaseFraction.toView(), diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp index 1be5e7ccd4a..32c4af5957c 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp @@ -64,6 +64,7 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase static constexpr char const * componentAcentricFactorString() { return "componentAcentricFactor"; } static constexpr char const * componentVolumeShiftString() { return "componentVolumeShift"; } static constexpr char const * componentBinaryCoeffString() { return "componentBinaryCoeff"; } + static constexpr char const * constantPhaseViscosityString() { return "constantPhaseViscosity"; } }; /** @@ -98,6 +99,7 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase KernelWrapper( pvt::MultiphaseSystem & fluid, arrayView1d< pvt::PHASE_TYPE > const & phaseTypes, + arrayView1d< real64 const > const & constantPhaseViscosity, arrayView1d< real64 const > const & componentMolarWeight, bool const useMass, PhaseProp::ViewType phaseFraction, @@ -112,6 +114,7 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase pvt::MultiphaseSystem & m_fluid; arrayView1d< pvt::PHASE_TYPE > m_phaseTypes; + arrayView1d< real64 const > m_constantPhaseViscosity; }; /** @@ -139,6 +142,9 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase // names of equations of state to use for each phase string_array m_equationsOfState; + // Phase viscosity + array1d< real64 > m_constantPhaseViscosity; + // standard EOS component input array1d< real64 > m_componentCriticalPressure; array1d< real64 > m_componentCriticalTemperature; @@ -239,7 +245,7 @@ CompositionalMultiphaseFluidPVTPackage::KernelWrapper:: phaseMassDensity.derivs[ip][Deriv::dT] = massDens.dT; // TODO - phaseViscosity.value[ip] = 0.001; + phaseViscosity.value[ip] = m_constantPhaseViscosity[ip]; phaseViscosity.derivs[ip][Deriv::dP] = 0.0; phaseViscosity.derivs[ip][Deriv::dT] = 0.0; diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp index 3ccefa5bb16..73f2d4495a8 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp @@ -54,7 +54,8 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW MultiFluidBase::PhaseProp::ViewType phaseEnthalpy, MultiFluidBase::PhaseProp::ViewType phaseInternalEnergy, MultiFluidBase::PhaseComp::ViewType phaseCompFrac, - MultiFluidBase::FluidProp::ViewType totalDensity ); + MultiFluidBase::FluidProp::ViewType totalDensity, + MultiFluidBase::PhaseComp::ViewValueType kValues ); GEOS_HOST_DEVICE virtual void compute( real64 const pressure, @@ -76,6 +77,43 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW real64 const temperature, arraySlice1d< real64 const, compflow::USD_COMP - 1 > const & composition ) const override; +protected: + GEOS_HOST_DEVICE + void compute( real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const, compflow::USD_COMP - 1 > const & composition, + MultiFluidBase::PhaseProp::SliceType const phaseFrac, + MultiFluidBase::PhaseProp::SliceType const phaseDens, + MultiFluidBase::PhaseProp::SliceType const phaseMassDensity, + MultiFluidBase::PhaseProp::SliceType const phaseVisc, + MultiFluidBase::PhaseProp::SliceType const phaseEnthalpy, + MultiFluidBase::PhaseProp::SliceType const phaseInternalEnergy, + MultiFluidBase::PhaseComp::SliceType const phaseCompFrac, + MultiFluidBase::FluidProp::SliceType const totalDensity, + MultiFluidBase::PhaseComp::SliceType::ValueType const & kValues ) const; + + /** + * @brief Convert derivatives from phase mole fraction to total mole fraction + * @details Given property derivatives @c dProperty where composition derivatives are with + * respect to a phase compositions, this will transform that properties so that + * they the composition derivatives are with respect to total composition. The derivatives + * of the phase composition should be provided in @c dPhaseComposition. + * @param[in] numComps The number of components + * @param[in] dPhaseComposition Derivatives of the phase composition + * @param[in,out] dProperty The derivatives of the property + * @param[in] workSpace Temporary workspace + */ + template< int USD1, int USD2 > + GEOS_HOST_DEVICE + static void convertDerivativesToTotalMoleFraction( integer const numComps, + arraySlice2d< real64 const, USD1 > const & dPhaseComposition, + arraySlice1d< real64, USD2 > const & dProperty, + arraySlice1d< real64 > const & workSpace ); + + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void setZero( real64 & val ){ val = 0.0; } + private: // The component properties compositional::ComponentProperties::KernelWrapper m_componentProperties; @@ -87,6 +125,9 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW typename PHASE1::KernelWrapper m_phase1; typename PHASE2::KernelWrapper m_phase2; typename PHASE3::KernelWrapper m_phase3; + + // Backup variables + MultiFluidBase::PhaseComp::ViewValueType m_kValues; }; template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -105,7 +146,8 @@ CompositionalMultiphaseFluidUpdates( compositional::ComponentProperties const & MultiFluidBase::PhaseProp::ViewType phaseEnthalpy, MultiFluidBase::PhaseProp::ViewType phaseInternalEnergy, MultiFluidBase::PhaseComp::ViewType phaseCompFrac, - MultiFluidBase::FluidProp::ViewType totalDensity ): + MultiFluidBase::FluidProp::ViewType totalDensity, + MultiFluidBase::PhaseComp::ViewValueType kValues ): MultiFluidBase::KernelWrapper( componentMolarWeight, useMass, std::move( phaseFrac ), @@ -120,7 +162,8 @@ CompositionalMultiphaseFluidUpdates( compositional::ComponentProperties const & m_flash( flash.createKernelWrapper() ), m_phase1( phase1.createKernelWrapper() ), m_phase2( phase2.createKernelWrapper() ), - m_phase3( phase3.createKernelWrapper() ) + m_phase3( phase3.createKernelWrapper() ), + m_kValues( kValues ) {} template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -140,14 +183,50 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( MultiFluidBase::PhaseComp::SliceType const phaseCompFrac, MultiFluidBase::FluidProp::SliceType const totalDensity ) const { - GEOS_UNUSED_VAR( phaseEnthalpy, phaseInternalEnergy ); + integer constexpr maxNumComp = MultiFluidBase::MAX_NUM_COMPONENTS; + integer constexpr maxNumPhase = MultiFluidBase::MAX_NUM_PHASES - 1; + MultiFluidBase::PhaseComp::StackValueType< maxNumPhase *maxNumComp > kValues( 1, 1, numPhases() - 1, numComponents() ); - using Deriv = multifluid::DerivativeOffset; + LvArray::forValuesInSlice( kValues[0][0], setZero ); // Force initialisation of k-Values + + compute( pressure, + temperature, + composition, + phaseFrac, + phaseDens, + phaseMassDensity, + phaseVisc, + phaseEnthalpy, + phaseInternalEnergy, + phaseCompFrac, + totalDensity, + kValues[0][0] ); +} +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +GEOS_HOST_DEVICE +GEOS_FORCE_INLINE +void +CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( + real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const, compflow::USD_COMP - 1 > const & composition, + MultiFluidBase::PhaseProp::SliceType const phaseFrac, + MultiFluidBase::PhaseProp::SliceType const phaseDens, + MultiFluidBase::PhaseProp::SliceType const phaseMassDensity, + MultiFluidBase::PhaseProp::SliceType const phaseVisc, + MultiFluidBase::PhaseProp::SliceType const phaseEnthalpy, + MultiFluidBase::PhaseProp::SliceType const phaseInternalEnergy, + MultiFluidBase::PhaseComp::SliceType const phaseCompFrac, + MultiFluidBase::FluidProp::SliceType const totalDensity, + MultiFluidBase::PhaseComp::SliceType::ValueType const & kValues ) const +{ integer constexpr maxNumComp = MultiFluidBase::MAX_NUM_COMPONENTS; + integer constexpr maxNumDof = MultiFluidBase::MAX_NUM_COMPONENTS + 2; integer constexpr maxNumPhase = MultiFluidBase::MAX_NUM_PHASES; integer const numComp = numComponents(); integer const numPhase = numPhases(); + integer const numDof = numComp + 2; // 1. Convert input mass fractions to mole fractions and keep derivatives @@ -174,6 +253,7 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, compMoleFrac.toSliceConst(), + kValues, phaseFrac, phaseCompFrac ); @@ -182,7 +262,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[0].toSliceConst(), - phaseCompFrac.derivs[0].toSliceConst(), phaseDens.value[0], phaseDens.derivs[0], phaseMassDensity.value[0], @@ -192,7 +271,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[1].toSliceConst(), - phaseCompFrac.derivs[1].toSliceConst(), phaseDens.value[1], phaseDens.derivs[1], phaseMassDensity.value[1], @@ -204,7 +282,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[2].toSliceConst(), - phaseCompFrac.derivs[2].toSliceConst(), phaseDens.value[2], phaseDens.derivs[2], phaseMassDensity.value[2], @@ -217,7 +294,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[0].toSliceConst(), - phaseCompFrac.derivs[0].toSliceConst(), phaseMassDensity.value[0], phaseMassDensity.derivs[0].toSliceConst(), phaseVisc.value[0], @@ -227,7 +303,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[1].toSliceConst(), - phaseCompFrac.derivs[1].toSliceConst(), phaseMassDensity.value[1], phaseMassDensity.derivs[1].toSliceConst(), phaseVisc.value[1], @@ -239,7 +314,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[2].toSliceConst(), - phaseCompFrac.derivs[2].toSliceConst(), phaseMassDensity.value[2], phaseMassDensity.derivs[2].toSliceConst(), phaseVisc.value[2], @@ -247,23 +321,52 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( m_useMass ); } - // 5. if mass variables used instead of molar, perform the conversion + // 5. Convert derivatives from phase composition to total composition + stackArray1d< real64, maxNumDof > workSpace( numDof ); + for( integer ip = 0; ip < FLASH::KernelWrapper::getNumberOfPhases(); ++ip ) + { + convertDerivativesToTotalMoleFraction( numComp, + phaseCompFrac.derivs[ip].toSliceConst(), + phaseDens.derivs[ip], + workSpace ); + convertDerivativesToTotalMoleFraction( numComp, + phaseCompFrac.derivs[ip].toSliceConst(), + phaseMassDensity.derivs[ip], + workSpace ); + convertDerivativesToTotalMoleFraction( numComp, + phaseCompFrac.derivs[ip].toSliceConst(), + phaseVisc.derivs[ip], + workSpace ); + } + + // 6. if mass variables used instead of molar, perform the conversion if( m_useMass ) { real64 phaseMolecularWeight[maxNumPhase]{}; real64 dPhaseMolecularWeight[maxNumPhase][maxNumComp+2]{}; + arrayView1d< real64 const > const & componentMolarWeight = m_componentProperties.m_componentMolarWeight; + for( integer ip = 0; ip < numPhase; ++ip ) { - phaseMolecularWeight[ip] = 1.0; - dPhaseMolecularWeight[ip][Deriv::dP] = 0.0; - dPhaseMolecularWeight[ip][Deriv::dT] = 0.0; + phaseMolecularWeight[ip] = 0.0; + for( integer kc = 0; kc < numDof; ++kc ) + { + dPhaseMolecularWeight[ip][kc] = 0.0; + } + + auto const & phaseComposition = phaseCompFrac.value[ip].toSliceConst(); + auto const & dPhaseComposition = phaseCompFrac.derivs[ip].toSliceConst(); + for( integer ic = 0; ic < numComp; ++ic ) { - dPhaseMolecularWeight[ip][Deriv::dC+ic] = 0.0; + phaseMolecularWeight[ip] += phaseComposition[ic] * componentMolarWeight[ic]; + for( integer kc = 0; kc < numDof; ++kc ) + { + dPhaseMolecularWeight[ip][kc] += dPhaseComposition( ic, kc ) * componentMolarWeight[ic]; + } } } - convertToMassFractions( dCompMoleFrac_dCompMassFrac, phaseMolecularWeight, dPhaseMolecularWeight, @@ -275,7 +378,7 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( phaseInternalEnergy.derivs ); } - // 6. Compute total fluid mass/molar density and derivatives + // 7. Compute total fluid mass/molar density and derivatives computeTotalDensity( phaseFrac, phaseDens, @@ -303,7 +406,37 @@ update( localIndex const k, m_phaseEnthalpy( k, q ), m_phaseInternalEnergy( k, q ), m_phaseCompFraction( k, q ), - m_totalDensity( k, q ) ); + m_totalDensity( k, q ), + m_kValues[k][q] ); +} + +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +template< int USD1, int USD2 > +GEOS_HOST_DEVICE +void +CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >:: +convertDerivativesToTotalMoleFraction( integer const numComps, + arraySlice2d< real64 const, USD1 > const & dPhaseComposition, + arraySlice1d< real64, USD2 > const & dProperty, + arraySlice1d< real64 > const & workSpace ) +{ + using Deriv = multifluid::DerivativeOffset; + integer const numDofs = numComps + 2; + for( integer kc = 0; kc < numDofs; ++kc ) + { + workSpace[kc] = dProperty[kc]; + } + for( integer ic = 0; ic < numComps; ++ic ) + { + dProperty[Deriv::dC+ic] = 0.0; + } + for( integer kc = 0; kc < numDofs; ++kc ) + { + for( integer ic = 0; ic < numComps; ++ic ) + { + dProperty[kc] += (dPhaseComposition( ic, kc ) * workSpace[Deriv::dC+ic]); + } + } } } /* namespace constitutive */ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp index d1c69c43ca1..5f48a008cfc 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp @@ -17,18 +17,9 @@ */ #include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" -#ifdef GEOSX_USE_PVTPackage #include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp" -#endif -#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" namespace geos { -#ifdef GEOSX_USE_PVTPackage template void PVTDriver::runTest< constitutive::CompositionalMultiphaseFluidPVTPackage >( constitutive::CompositionalMultiphaseFluidPVTPackage &, arrayView2d< real64 > const & ); -#endif -template void PVTDriver::runTest< constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity >( - constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity &, arrayView2d< real64 > const & ); -template void PVTDriver::runTest< constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity >( - constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity &, arrayView2d< real64 > const & ); } diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp new file mode 100644 index 00000000000..eec79c6c150 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalPR.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity >( + constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp new file mode 100644 index 00000000000..449d4459c57 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalPRLBC.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhasePengRobinsonLBCViscosity >( + constitutive::CompositionalTwoPhasePengRobinsonLBCViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp new file mode 100644 index 00000000000..edcfd2af4f5 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalSRK.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity >( + constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp new file mode 100644 index 00000000000..1ab0ab8b15f --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalSRKLBC.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity >( + constitutive::CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp index 84f886df626..3f2d3d45c88 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp @@ -20,6 +20,7 @@ #define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIES_HPP_ #include "common/DataTypes.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" namespace geos { @@ -32,97 +33,51 @@ namespace compositional struct CompositionalProperties { + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: /** - * @brief Compute the molar density of a mixture from the composition and the compressibility factor + * @brief Compute the molar density and derivatives * @param[in] numComps number of components * @param[in] pressure pressure * @param[in] temperature temperature * @param[in] composition composition of the mixture * @param[in] volumeShift dimensional volume shift parameters * @param[in] compressibilityFactor compressibility factor (z-factor) + * @param[in] compressibilityFactorDerivs derivatives of the compressibility factor (z-factor) * @param[out] molarDensity the calculated molar density - * @note The volume shifts can result in a negative molar density which will be truncated to zero + * @param[out] molarDensityDerivs derivatives of the molar density */ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE static void computeMolarDensity( integer const numComps, real64 const pressure, real64 const temperature, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & volumeShift, real64 const compressibilityFactor, - real64 & molarDensity ); + arraySlice1d< real64 const > const & compressibilityFactorDerivs, + real64 & molarDensity, + arraySlice1d< real64, USD2 > const & molarDensityDerivs ); /** - * @brief Compute the molar density derivatives - * @param[in] numComps number of components - * @param[in] pressure pressure - * @param[in] temperature temperature - * @param[in] composition composition of the mixture - * @param[in] volumeShift dimensional volume shift parameters - * @param[in] compressibilityFactor compressibility factor (z-factor) - * @param[in] dCompressibilityFactor_dp derivative of the compressibility factor (z-factor) wrt pressure - * @param[in] dCompressibilityFactor_dp derivative of the compressibility factor (z-factor) wrt temperature - * @param[in] dCompressibilityFactor_dz derivative of the compressibility factor (z-factor) wrt composition - * @param[in] molarDensity the calculated molar density - * @param[out] dMolarDensity_dp derivative of the molar density wrt pressure - * @param[out] dMolarDensity_dt derivative of the molar density wrt temperature - * @param[out] dMolarDensity_dz derivative of the molar density wrt composition - */ - GEOS_HOST_DEVICE - static void computeMolarDensity( integer const numComps, - real64 const pressure, - real64 const temperature, - arraySlice1d< real64 const > const & composition, - arraySlice1d< real64 const > const & volumeShift, - real64 const compressibilityFactor, - real64 const dCompressibilityFactor_dp, - real64 const dCompressibilityFactor_dt, - arraySlice1d< real64 const > const & dCompressibilityFactor_dz, - real64 const molarDensity, - real64 & dMolarDensity_dp, - real64 & dMolarDensity_dt, - arraySlice1d< real64 > const & dMolarDensity_dz ); - - /** - * @brief Compute the mass density of a mixture from the composition and the molar density + * @brief Compute the mass density and derivatives * @param[in] numComps number of components * @param[in] composition composition of the mixture * @param[in] molecularWeight the component molecular weights * @param[in] molarDensity the mixture molar density - * @param[out] massDensity the calculated mass density + * @param[in] molarDensityDerivs derivatives of the molar density + * @param[out] massDensity mass density + * @param[out] massDensityDerivs derivatives of the mass density */ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE static void computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & molecularWeight, real64 const molarDensity, - real64 & massDensity ); - - /** - * @brief Compute the mass density derivatives - * @param[in] numComps number of components - * @param[in] molecularWeight the component molecular weights - * @param[in] molarDensity the mixture molar density - * @param[in] dMolarDensity_dp derivative of the molar density wrt pressure - * @param[in] dMolarDensity_dt derivative of the molar density wrt temperature - * @param[in] dMolarDensity_dz derivative of the molar density wrt composition - * @param[in] massDensity mass density - * @param[out] dMassDensity_dp derivative of the mass density wrt pressure - * @param[out] dMassDensity_dt derivative of the mass density wrt temperature - * @param[out] dMassDensity_dz derivative of the mass density wrt composition - */ - GEOS_HOST_DEVICE - static void computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & molecularWeight, - real64 const molarDensity, - real64 const dMolarDensity_dp, - real64 const dMolarDensity_dt, - arraySlice1d< real64 const > const dMolarDensity_dz, - real64 const massDensity, - real64 & dMassDensity_dp, - real64 & dMassDensity_dt, - arraySlice1d< real64 > const & dMassDensity_dz ); + arraySlice1d< real64 const, USD2 > const & molarDensityDerivs, + real64 & massDensity, + arraySlice1d< real64, USD2 > const & massDensityDerivs ); }; } //namespace compositional @@ -131,4 +86,7 @@ struct CompositionalProperties } // namespace geos +// Implementation +#include "CompositionalPropertiesImpl.hpp" + #endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIES_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp similarity index 50% rename from src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.cpp rename to src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp index 165801fa177..f602cd70308 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp @@ -13,9 +13,12 @@ */ /** - * @file CompositionalProperties.hpp + * @file CompositionalPropertiesImpl.hpp */ +#ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIESIMPL_HPP_ +#define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIESIMPL_HPP_ + #include "CompositionalProperties.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" @@ -34,22 +37,24 @@ namespace compositional * Peneloux, A et al. 1982. Fluid phase equilibria, 8(1):7–23. * https://doi.org/10.1016/0378-3812(82)80002-2 */ +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void CompositionalProperties::computeMolarDensity( integer const numComps, real64 const pressure, real64 const temperature, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & volumeShift, real64 const compressibilityFactor, - real64 & molarDensity ) + arraySlice1d< real64 const > const & compressibilityFactorDerivs, + real64 & molarDensity, + arraySlice1d< real64, USD2 > const & molarDensityDerivs ) { - real64 vEos = constants::gasConstant * temperature * compressibilityFactor / pressure; real64 vCorrected = vEos; for( integer ic = 0; ic < numComps; ++ic ) { - vCorrected += composition[ic] * volumeShift[ic]; + vCorrected -= composition[ic] * volumeShift[ic]; } if( MultiFluidConstants::epsilon < vCorrected ) @@ -59,89 +64,66 @@ void CompositionalProperties::computeMolarDensity( integer const numComps, else { molarDensity = 0.0; - } -} - -GEOS_HOST_DEVICE -void CompositionalProperties::computeMolarDensity( integer const numComps, - real64 const pressure, - real64 const temperature, - arraySlice1d< real64 const > const & GEOS_UNUSED_PARAM ( composition ), - arraySlice1d< real64 const > const & volumeShift, - real64 const compressibilityFactor, - real64 const dCompressibilityFactor_dp, - real64 const dCompressibilityFactor_dt, - arraySlice1d< real64 const > const & dCompressibilityFactor_dz, - real64 const molarDensity, - real64 & dMolarDensity_dp, - real64 & dMolarDensity_dt, - arraySlice1d< real64 > const & dMolarDensity_dz ) -{ - if( molarDensity < MultiFluidConstants::epsilon ) - { - dMolarDensity_dp = 0.0; - dMolarDensity_dt = 0.0; - for( integer ic = 0; ic < numComps; ++ic ) - { - dMolarDensity_dz[ic] = 0.0; - } + auto const setZero = []( real64 & val ){ val = 0.0; }; + LvArray::forValuesInSlice( molarDensityDerivs, setZero ); return; } real64 dvCorrected_dx = 0.0; // Pressure derivative - dvCorrected_dx = constants::gasConstant * temperature * (dCompressibilityFactor_dp - compressibilityFactor / pressure) / pressure; - dMolarDensity_dp = -molarDensity * molarDensity * dvCorrected_dx; + dvCorrected_dx = constants::gasConstant * temperature * (compressibilityFactorDerivs[Deriv::dP] - compressibilityFactor / pressure) / pressure; + molarDensityDerivs[Deriv::dP] = -molarDensity * molarDensity * dvCorrected_dx; // Temperature derivative - dvCorrected_dx = constants::gasConstant * (temperature * dCompressibilityFactor_dt + compressibilityFactor) / pressure; - dMolarDensity_dt = -molarDensity * molarDensity * dvCorrected_dx; + dvCorrected_dx = constants::gasConstant * (temperature * compressibilityFactorDerivs[Deriv::dT] + compressibilityFactor) / pressure; + molarDensityDerivs[Deriv::dT] = -molarDensity * molarDensity * dvCorrected_dx; // Composition derivative for( integer ic = 0; ic < numComps; ++ic ) { - dvCorrected_dx = constants::gasConstant * temperature * dCompressibilityFactor_dz[ic] / pressure + volumeShift[ic]; - dMolarDensity_dz[ic] = -molarDensity * molarDensity * dvCorrected_dx; + integer const kc = Deriv::dC + ic; + dvCorrected_dx = constants::gasConstant * temperature * compressibilityFactorDerivs[kc] / pressure - volumeShift[ic]; + molarDensityDerivs[kc] = -molarDensity * molarDensity * dvCorrected_dx; } } +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void CompositionalProperties::computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & molecularWeight, real64 const molarDensity, - real64 & massDensity ) + arraySlice1d< real64 const, USD2 > const & molarDensityDerivs, + real64 & massDensity, + arraySlice1d< real64, USD2 > const & massDensityDerivs ) { massDensity = 0.0; for( integer ic = 0; ic < numComps; ++ic ) { massDensity += molecularWeight[ic] * composition[ic] * molarDensity; } -} -GEOS_HOST_DEVICE -void CompositionalProperties::computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & molecularWeight, - real64 const molarDensity, - real64 const dMolarDensity_dp, - real64 const dMolarDensity_dt, - arraySlice1d< real64 const > const dMolarDensity_dz, - real64 const massDensity, - real64 & dMassDensity_dp, - real64 & dMassDensity_dt, - arraySlice1d< real64 > const & dMassDensity_dz ) -{ - // Pressure derivative - dMassDensity_dp = massDensity * dMolarDensity_dp / molarDensity; + if( massDensity < MultiFluidConstants::epsilon ) + { + auto const setZero = []( real64 & val ){ val = 0.0; }; + LvArray::forValuesInSlice( massDensityDerivs, setZero ); + return; + } - // Temperature derivative - dMassDensity_dt = massDensity * dMolarDensity_dt / molarDensity; + real64 const oneOverMolarDensity = 1.0 / molarDensity; + + // Pressure and temperature derivatives + for( integer const kc : {Deriv::dP, Deriv::dT} ) + { + massDensityDerivs[kc] = massDensity * molarDensityDerivs[kc] * oneOverMolarDensity; + } // Composition derivative for( integer ic = 0; ic < numComps; ++ic ) { - dMassDensity_dz[ic] = massDensity * dMolarDensity_dz[ic] / molarDensity + molecularWeight[ic] * molarDensity; + integer const kc = Deriv::dC + ic; + massDensityDerivs[kc] = massDensity * molarDensityDerivs[kc] * oneOverMolarDensity + molecularWeight[ic] * molarDensity; } } @@ -150,3 +132,5 @@ void CompositionalProperties::computeMassDensity( integer const numComps, } // namespace constitutive } // namespace geos + +#endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIESIMPL_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp index 8adfa65457e..d1a53eeb39e 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp @@ -21,6 +21,7 @@ #include "common/DataTypes.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" #include "constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp" namespace geos @@ -73,6 +74,7 @@ struct SoaveRedlichKwongEOS template< typename EOS_TYPE > struct CubicEOSPhaseModel { + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: /** * @brief Generate a catalog name @@ -89,15 +91,121 @@ struct CubicEOSPhaseModel * @param[in] componentProperties The compositional component properties * @param[out] logFugacityCoefficients log of the fugacity coefficients */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeLogFugacityCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const logFugacityCoefficients ); + arraySlice1d< real64 > const & logFugacityCoefficients ); + + /** + * @brief Secondary entry point of the cubic EOS model + * @details Computes the derivatives of the logarithm of the fugacity coefficients + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] composition composition of the phase + * @param[in] componentProperties The compositional component properties + * @param[in] logFugacityCoefficients log of the fugacity coefficients + * @param[out] logFugacityCoefficientDerivs derivatives of the log of the fugacity coefficients + */ + template< integer USD > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computeLogFugacityCoefficients( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const > const & logFugacityCoefficients, + arraySlice2d< real64 > const & logFugacityCoefficientDerivs ); + + /** + * @brief Compute compressibility factor for the cubic EOS model + * @details Computes the compressibility factor (z-factor) for the cubic EOS model including derivatives + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] composition composition of the phase + * @param[in] componentProperties The compositional component properties + * @param[out] compressibilityFactor the current compressibility factor + * @param[out] compressibilityFactorDerivs derivatives of the compressibility factor + */ + template< integer USD > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computeCompressibilityFactor( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & compressibilityFactor, + arraySlice1d< real64 > const & compressibilityFactorDerivs ); + + /** + * @brief Calculate the dimensional volume shift + * @details Computes the dimensional form of the volume shifts given the user defined non-dimensional form. + * @param[in] numComps The number of components + * @param[in] componentProperties The compositional model properties + * @param[out] dimensionalVolumeShift The calculated dimensional volume shifts + */ + GEOS_FORCE_INLINE + static void calculateDimensionalVolumeShift( ComponentProperties const & componentProperties, + arraySlice1d< real64 > const & dimensionalVolumeShift ); + + /** + * @brief Calculate the pure coefficients + * @details Computes the pure coefficients + * @param[in] ic Component index + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] componentProperties The compositional component properties + * @param[out] aCoefficient pure coefficient (A) + * @param[out] bCoefficient pure coefficient (B) + */ + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient ); + + /** + * @brief Calculate the pure coefficients derivatives + * @details Computes the pure coefficients derivatives + * @param[in] ic Component index + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] componentProperties The compositional component properties + * @param[out] aCoefficient pure coefficient (A) + * @param[out] bCoefficient pure coefficient (B) + * @param[out] daCoefficient_dp pure coefficient (A) derivative w.r.t. pressure + * @param[out] dbCoefficient_dp pure coefficient (B) derivative w.r.t. pressure + * @param[out] daCoefficient_dt pure coefficient (A) derivative w.r.t. temperature + * @param[out] dbCoefficient_dt pure coefficient (B) derivative w.r.t. temperature + */ + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient, + real64 & daCoefficient_dp, + real64 & dbCoefficient_dp, + real64 & daCoefficient_dt, + real64 & dbCoefficient_dt ); /** * @brief Compute the mixture coefficients using pressure, temperature, composition and input @@ -111,16 +219,17 @@ struct CubicEOSPhaseModel * @param[out] aMixtureCoefficient mixture coefficient (A) * @param[out] bMixtureCoefficient mixture coefficient (B) */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const aPureCoefficient, - arraySlice1d< real64 > const bPureCoefficient, + arraySlice1d< real64 > const & aPureCoefficient, + arraySlice1d< real64 > const & bPureCoefficient, real64 & aMixtureCoefficient, real64 & bMixtureCoefficient ); @@ -135,32 +244,25 @@ struct CubicEOSPhaseModel * @param[in] bPureCoefficient pure coefficient (B) * @param[in] aMixtureCoefficient mixture coefficient (A) * @param[in] bMixtureCoefficient mixture coefficient (B) - * @param[out] daMixtureCoefficient_dp derivative of mixture coefficient (A) wrt pressure - * @param[out] dbMixtureCoefficient_dp derivative of mixture coefficient (B) wrt pressure - * @param[out] daMixtureCoefficient_dt derivative of mixture coefficient (A) wrt temperature - * @param[out] dbMixtureCoefficient_dt derivative of mixture coefficient (B) wrt temperature - * @param[out] daMixtureCoefficient_dz derivative of mixture coefficient (A) wrt composition - * @param[out] dbMixtureCoefficient_dz derivative of mixture coefficient (B) wrt composition + * @param[out] aMixtureCoefficientDerivs derivatives of mixture coefficient (A) + * @param[out] bMixtureCoefficientDerivs derivatives of mixture coefficient (B) * @note Assumes that pressure and temperature are strictly positive */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const aMixtureCoefficient, real64 const bMixtureCoefficient, - real64 & daMixtureCoefficient_dp, - real64 & dbMixtureCoefficient_dp, - real64 & daMixtureCoefficient_dt, - real64 & dbMixtureCoefficient_dt, - arraySlice1d< real64 > const daMixtureCoefficient_dz, - arraySlice1d< real64 > const dbMixtureCoefficient_dz ); + arraySlice1d< real64 > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 > const & bMixtureCoefficientDerivs ); /** * @brief Compute the compressibility factor using compositions, BICs, and mixture coefficients @@ -173,14 +275,15 @@ struct CubicEOSPhaseModel * @param[in] bMixtureCoefficient mixture coefficient (B) * @param[out] compressibilityFactor compressibility factor */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeCompressibilityFactor( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 & compressibilityFactor ); @@ -191,15 +294,9 @@ struct CubicEOSPhaseModel * @param[in] aMixtureCoefficient mixture coefficient (A) * @param[in] bMixtureCoefficient mixture coefficient (B) * @param[in] compressibilityFactor the current compressibility factor - * @param[in] daMixtureCoefficient_dp derivative of mixture coefficient (A) wrt pressure - * @param[in] dbMixtureCoefficient_dp derivative of mixture coefficient (B) wrt pressure - * @param[in] daMixtureCoefficient_dt derivative of mixture coefficient (A) wrt temperature - * @param[in] dbMixtureCoefficient_dt derivative of mixture coefficient (B) wrt temperature - * @param[in] daMixtureCoefficient_dz derivative of mixture coefficient (A) wrt composition - * @param[in] dbMixtureCoefficient_dz derivative of mixture coefficient (B) wrt composition - * @param[out] dCompressibilityFactor_dp derivative of the compressibility factor wrt pressure - * @param[out] dCompressibilityFactor_dt derivative of the compressibility factor wrt temperature - * @param[out] dCompressibilityFactor_dz derivative of the compressibility factor wrt composition + * @param[in] aMixtureCoefficientDerivs derivatives of mixture coefficient (A) + * @param[in] bMixtureCoefficientDerivs derivatives of mixture coefficient (B) + * @param[out] compressibilityFactorDerivs derivatives of the compressibility factor * @note Assumes that pressure and temperature are strictly positive */ GEOS_HOST_DEVICE @@ -209,15 +306,9 @@ struct CubicEOSPhaseModel real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 const & compressibilityFactor, - real64 const & daMixtureCoefficient_dp, - real64 const & dbMixtureCoefficient_dp, - real64 const & daMixtureCoefficient_dt, - real64 const & dbMixtureCoefficient_dt, - arraySlice1d< real64 const > const daMixtureCoefficient_dz, - arraySlice1d< real64 const > const dbMixtureCoefficient_dz, - real64 & dCompressibilityFactor_dp, - real64 & dCompressibilityFactor_dt, - arraySlice1d< real64 > const dCompressibilityFactor_dz ); + arraySlice1d< real64 const > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 const > const & bMixtureCoefficientDerivs, + arraySlice1d< real64 > const & compressibilityFactorDerivs ); /** * @brief Compute the log of the fugacity coefficients using compositions, BICs, compressibility factor and mixture coefficients @@ -231,18 +322,19 @@ struct CubicEOSPhaseModel * @param[in] bMixtureCoefficient mixture coefficient (B) * @param[out] logFugacityCoefficients log of the fugacity coefficients */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeLogFugacityCoefficients( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, real64 const & compressibilityFactor, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, - arraySlice1d< real64 > const logFugacityCoefficients ); + arraySlice1d< real64 > const & logFugacityCoefficients ); /** * @brief Helper functions solving a cubic equation using trigonometry @@ -267,15 +359,16 @@ struct CubicEOSPhaseModel }; template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeLogFugacityCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const logFugacityCoefficients ) + arraySlice1d< real64 > const & logFugacityCoefficients ) { // step 0: allocate the stack memory needed for the update stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > aPureCoefficient( numComps ); @@ -284,7 +377,7 @@ computeLogFugacityCoefficients( integer const numComps, real64 bMixtureCoefficient = 0.0; real64 compressibilityFactor = 0.0; - arrayView2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; // step 1: compute the mixture coefficients aPureCoefficient, bPureCoefficient, aMixtureCoefficient, bMixtureCoefficient computeMixtureCoefficients( numComps, // number of components @@ -319,33 +412,335 @@ computeLogFugacityCoefficients( integer const numComps, logFugacityCoefficients ); // output } +template< typename EOS_TYPE > +template< integer USD > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: +computeLogFugacityCoefficients( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const > const & logFugacityCoefficients, + arraySlice2d< real64 > const & logFugacityCoefficientDerivs ) +{ + integer constexpr numMaxComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + integer constexpr numMaxDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + integer const numDofs = 2 + numComps; + + GEOS_UNUSED_VAR( logFugacityCoefficients ); + + stackArray1d< real64, numMaxComps > aPureCoefficient( numComps ); + stackArray1d< real64, numMaxComps > bPureCoefficient( numComps ); + stackArray2d< real64, 2*numMaxComps > aPureCoefficientDerivs( numComps, 2 ); + stackArray2d< real64, 2*numMaxComps > bPureCoefficientDerivs( numComps, 2 ); + real64 aMixtureCoefficient = 0.0; + real64 bMixtureCoefficient = 0.0; + real64 compressibilityFactor = 0.0; + stackArray1d< real64, numMaxDofs > aMixtureCoefficientDerivs( numDofs ); + stackArray1d< real64, numMaxDofs > bMixtureCoefficientDerivs( numDofs ); + stackArray1d< real64, numMaxDofs > compressibilityFactorDerivs( numDofs ); + + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + + // 1.1: Compute the pure and mixture coefficients + computeMixtureCoefficients( numComps, // number of components + pressure, // cell input + temperature, + composition, + componentProperties, // user input, + aPureCoefficient, // output + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient ); + + // 1.2: Compute pure coefficient derivatives + for( integer ic = 0; ic < numComps; ++ic ) + { + computePureCoefficients( ic, + pressure, + temperature, + componentProperties, + aPureCoefficient[ic], + bPureCoefficient[ic], + aPureCoefficientDerivs( ic, Deriv::dP ), + bPureCoefficientDerivs( ic, Deriv::dP ), + aPureCoefficientDerivs( ic, Deriv::dT ), + bPureCoefficientDerivs( ic, Deriv::dT )); + } + + // 1.3: Compute mixture coefficient derivatives + computeMixtureCoefficients( numComps, + pressure, + temperature, + composition, + componentProperties, + aPureCoefficient, + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs ); + + // 2.1: Update the compressibility factor + computeCompressibilityFactor( numComps, // number of components + composition, // cell input + binaryInteractionCoefficients, // user input + aPureCoefficient, // computed by computeMixtureCoefficients + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor ); // output + // 2.2: Update the compressibility factor derivatives + computeCompressibilityFactor( numComps, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs, + compressibilityFactorDerivs ); + + // 3. Calculate derivatives of the logarithm of the fugacity coefficients + stackArray1d< real64, numMaxComps > ki( numComps ); + stackArray2d< real64, numMaxComps * numMaxDofs > dki( numComps, numDofs ); + + // ki + for( integer ic = 0; ic < numComps; ++ic ) + { + ki[ic] = 0.0; + dki( ic, Deriv::dP ) = 0.0; + dki( ic, Deriv::dT ) = 0.0; + for( integer jc = 0; jc < numComps; ++jc ) + { + real64 const aCoeffI = sqrt( aPureCoefficient[ic] ); + real64 const aCoeffJ = sqrt( aPureCoefficient[jc] ); + real64 const kij = ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * aCoeffI * aCoeffJ; + ki[ic] += composition[jc] * kij; + dki( ic, Deriv::dC + jc ) = kij; + dki( ic, Deriv::dP ) += 0.5 * composition[jc] * kij * ( aPureCoefficientDerivs( ic, Deriv::dP )/aPureCoefficient[ic] + aPureCoefficientDerivs( jc, Deriv::dP )/aPureCoefficient[jc] ); + dki( ic, Deriv::dT ) += 0.5 * composition[jc] * kij * ( aPureCoefficientDerivs( ic, Deriv::dT )/aPureCoefficient[ic] + aPureCoefficientDerivs( jc, Deriv::dT )/aPureCoefficient[jc] ); + } + } + + auto const calculateDerivatives = [&]( integer const kc ){ + real64 const E = log( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) + - log( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ); + + real64 const dE_dX = (compressibilityFactorDerivs[kc] + EOS_TYPE::delta1*bMixtureCoefficientDerivs[kc])/( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) + -(compressibilityFactorDerivs[kc] + EOS_TYPE::delta2*bMixtureCoefficientDerivs[kc])/( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ); + + //real64 const F = log( compressibilityFactor - bMixtureCoefficient ); + real64 const dF_dX = (compressibilityFactorDerivs[kc] - bMixtureCoefficientDerivs[kc])/(compressibilityFactor - bMixtureCoefficient); + + real64 const G = 1.0 / ( ( EOS_TYPE::delta1 - EOS_TYPE::delta2 ) * bMixtureCoefficient ); + real64 const dG_dX = -G * bMixtureCoefficientDerivs[kc] / bMixtureCoefficient; + + real64 const A = aMixtureCoefficient; + real64 const dA_dX = aMixtureCoefficientDerivs[kc]; + + for( integer ic = 0; ic < numComps; ++ic ) + { + real64 const B = bPureCoefficient[ic] / bMixtureCoefficient; + real64 dB_dX = -B*bMixtureCoefficientDerivs[kc] / bMixtureCoefficient; + if( kc < Deriv::dC ) + { + dB_dX += bPureCoefficientDerivs( ic, kc ) / bMixtureCoefficient; + } + + // lnPhi = ( compressibilityFactor - 1 ) * B - F - G * ( 2 * ki[ic] - A * B ) * E; + logFugacityCoefficientDerivs( ic, kc ) = + compressibilityFactorDerivs[kc]*B + ( compressibilityFactor - 1 ) * dB_dX + - dF_dX + - dG_dX * ( 2 * ki[ic] - A * B ) * E + - G * ( 2 * dki( ic, kc ) - dA_dX * B - A * dB_dX ) * E + - G * ( 2 * ki[ic] - A * B ) * dE_dX; + } + }; + + calculateDerivatives( Deriv::dP ); + calculateDerivatives( Deriv::dT ); + + for( integer jc = 0; jc < numComps; ++jc ) + { + calculateDerivatives( Deriv::dC+jc ); + } +} + +template< typename EOS_TYPE > +template< integer USD > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: +computeCompressibilityFactor( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & compressibilityFactor, + arraySlice1d< real64 > const & compressibilityFactorDerivs ) +{ + // step 0: allocate the stack memory needed for the update + integer constexpr numMaxComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + integer constexpr numMaxDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + integer const numDofs = 2 + numComps; + + stackArray1d< real64, numMaxComps > aPureCoefficient( numComps ); + stackArray1d< real64, numMaxComps > bPureCoefficient( numComps ); + real64 aMixtureCoefficient = 0.0; + real64 bMixtureCoefficient = 0.0; + stackArray1d< real64, numMaxDofs > aMixtureCoefficientDerivs( numDofs ); + stackArray1d< real64, numMaxDofs > bMixtureCoefficientDerivs( numDofs ); + + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + + // step 1: compute the mixture coefficients aPureCoefficient, bPureCoefficient, aMixtureCoefficient, bMixtureCoefficient + // 1.1: Compute the pure and mixture coefficients + computeMixtureCoefficients( numComps, // number of components + pressure, // cell input + temperature, + composition, + componentProperties, // user input, + aPureCoefficient, // output + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient ); + + // 1.2: Compute mixture coefficient derivatives + computeMixtureCoefficients( numComps, + pressure, + temperature, + composition, + componentProperties, + aPureCoefficient, + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs ); + + // 2.1: Update the compressibility factor + computeCompressibilityFactor( numComps, // number of components + composition, // cell input + binaryInteractionCoefficients, // user input + aPureCoefficient, // computed by computeMixtureCoefficients + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor ); // output + + // 2.2: Update the compressibility factor derivatives + computeCompressibilityFactor( numComps, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs, + compressibilityFactorDerivs ); +} + +template< typename EOS_TYPE > +void +CubicEOSPhaseModel< EOS_TYPE >:: +calculateDimensionalVolumeShift( ComponentProperties const & componentProperties, + arraySlice1d< real64 > const & dimensionalVolumeShift ) +{ + integer const numComps = componentProperties.getNumberOfComponents(); + for( integer ic = 0; ic < numComps; ++ic ) + { + real64 const Vs = componentProperties.getComponentVolumeShift()[ic]; + real64 const Pc = componentProperties.getComponentCriticalPressure()[ic]; + real64 const Tc = componentProperties.getComponentCriticalTemperature()[ic]; + real64 constexpr omegaB = EOS_TYPE::omegaB; + dimensionalVolumeShift[ic] = constants::gasConstant * Vs * omegaB * Tc / Pc; + } +} + template< typename EOS_TYPE > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: +computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient ) +{ + real64 daCoefficient_dp = 0.0; + real64 dbCoefficient_dp = 0.0; + real64 daCoefficient_dt = 0.0; + real64 dbCoefficient_dt = 0.0; + computePureCoefficients( ic, + pressure, + temperature, + componentProperties, + aCoefficient, + bCoefficient, + daCoefficient_dp, + dbCoefficient_dp, + daCoefficient_dt, + dbCoefficient_dt ); +} + + +template< typename EOS_TYPE > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: +computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient, + real64 & daCoefficient_dp, + real64 & dbCoefficient_dp, + real64 & daCoefficient_dt, + real64 & dbCoefficient_dt ) +{ + arraySlice1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; + arraySlice1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; + arraySlice1d< real64 const > const & acentricFactor = componentProperties.m_componentAcentricFactor; + + real64 const m = EOS_TYPE::evaluate( acentricFactor[ic] ); + real64 const pr = pressure / criticalPressure[ic]; + real64 const tr = temperature / criticalTemperature[ic]; + + real64 const sqrtTr = sqrt( tr ); + real64 const mt = 1.0 + m * (1.0 - sqrtTr); + + aCoefficient = EOS_TYPE::omegaA * pr / (tr*tr) * mt * mt; + bCoefficient = EOS_TYPE::omegaB * pr / tr; + + daCoefficient_dp = aCoefficient / pressure; + dbCoefficient_dp = bCoefficient / pressure; + + daCoefficient_dt = -aCoefficient * (2.0/temperature + m/(mt * sqrtTr * criticalTemperature[ic])); + dbCoefficient_dt = -bCoefficient / temperature; +} + +template< typename EOS_TYPE > +template< integer USD > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const aPureCoefficient, - arraySlice1d< real64 > const bPureCoefficient, + arraySlice1d< real64 > const & aPureCoefficient, + arraySlice1d< real64 > const & bPureCoefficient, real64 & aMixtureCoefficient, real64 & bMixtureCoefficient ) { - arrayView1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; - arrayView1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; - arrayView1d< real64 const > const & acentricFactor = componentProperties.m_componentAcentricFactor; - arrayView2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; // mixture coefficients for( integer ic = 0; ic < numComps; ++ic ) { - real64 const m = EOS_TYPE::evaluate( acentricFactor[ic] ); - real64 const pr = pressure / criticalPressure[ic]; - real64 const tr = temperature / criticalTemperature[ic]; - aPureCoefficient[ic] = EOS_TYPE::omegaA * pr / (tr*tr) * pow( 1.0 + m * ( 1.0 - sqrt( tr ) ), 2.0 ); - bPureCoefficient[ic] = EOS_TYPE::omegaB * pr / tr; + computePureCoefficients( ic, pressure, temperature, componentProperties, aPureCoefficient[ic], bPureCoefficient[ic] ); } aMixtureCoefficient = 0.0; @@ -354,89 +749,85 @@ computeMixtureCoefficients( integer const numComps, { for( integer jc = 0; jc < numComps; ++jc ) { - aMixtureCoefficient += ( composition[ic] * composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ) ); + aMixtureCoefficient += composition[ic] * composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); } bMixtureCoefficient += composition[ic] * bPureCoefficient[ic]; } } template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const aMixtureCoefficient, real64 const bMixtureCoefficient, - real64 & daMixtureCoefficient_dp, - real64 & dbMixtureCoefficient_dp, - real64 & daMixtureCoefficient_dt, - real64 & dbMixtureCoefficient_dt, - arraySlice1d< real64 > const daMixtureCoefficient_dz, - arraySlice1d< real64 > const dbMixtureCoefficient_dz ) + arraySlice1d< real64 > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 > const & bMixtureCoefficientDerivs ) { - arrayView1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; - arrayView1d< real64 const > const & acentricFactor = componentProperties.m_componentAcentricFactor; - arrayView2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; - - stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > daPureCoefficient_dx( numComps ); + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; // Calculate pressure derivatives - daMixtureCoefficient_dp = aMixtureCoefficient / pressure; - dbMixtureCoefficient_dp = bMixtureCoefficient / pressure; + aMixtureCoefficientDerivs[Deriv::dP] = aMixtureCoefficient / pressure; + bMixtureCoefficientDerivs[Deriv::dP] = bMixtureCoefficient / pressure; // Calculate temperature derivatives + real64 aCoefficient = 0.0; + real64 bCoefficient = 0.0; + real64 dummy = 0.0; + stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > daPureCoefficient_dt( numComps ); for( integer ic = 0; ic < numComps; ++ic ) { - real64 const m = EOS_TYPE::evaluate( acentricFactor[ic] ); - real64 const sqrtTr = sqrt( temperature / criticalTemperature[ic] ); - real64 const mt = 1.0 + m * (1.0 - sqrtTr); - daPureCoefficient_dx[ic] = -aPureCoefficient[ic] * (2.0/temperature + m/(mt*sqrtTr*criticalTemperature[ic])); + computePureCoefficients( ic, pressure, temperature, componentProperties, + aCoefficient, bCoefficient, dummy, dummy, daPureCoefficient_dt[ic], dummy ); } - daMixtureCoefficient_dt = 0.0; - dbMixtureCoefficient_dt = -bMixtureCoefficient / temperature; + aMixtureCoefficientDerivs[Deriv::dT] = 0.0; + bMixtureCoefficientDerivs[Deriv::dT] = -bMixtureCoefficient / temperature; for( integer ic = 0; ic < numComps; ++ic ) { for( integer jc = 0; jc < numComps; ++jc ) { real64 const coeff = composition[ic] * composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) / sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); - daMixtureCoefficient_dt += 0.5 * coeff * (daPureCoefficient_dx[ic]*aPureCoefficient[jc] + daPureCoefficient_dx[jc]*aPureCoefficient[ic]); + aMixtureCoefficientDerivs[Deriv::dT] += 0.5 * coeff * (daPureCoefficient_dt[ic]*aPureCoefficient[jc] + daPureCoefficient_dt[jc]*aPureCoefficient[ic]); } } // Calculate composition derivatives for( integer ic = 0; ic < numComps; ++ic ) { - daMixtureCoefficient_dz[ic] = 0.0; - dbMixtureCoefficient_dz[ic] = 0.0; + aMixtureCoefficientDerivs[Deriv::dC+ic] = 0.0; + bMixtureCoefficientDerivs[Deriv::dC+ic] = 0.0; } for( integer ic = 0; ic < numComps; ++ic ) { for( integer jc = 0; jc < numComps; ++jc ) { real64 const coeff = ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); - daMixtureCoefficient_dz[ic] += coeff * composition[jc]; - daMixtureCoefficient_dz[jc] += coeff * composition[ic]; + aMixtureCoefficientDerivs[Deriv::dC+ic] += coeff * composition[jc]; + aMixtureCoefficientDerivs[Deriv::dC+jc] += coeff * composition[ic]; } - dbMixtureCoefficient_dz[ic] = bPureCoefficient[ic]; + bMixtureCoefficientDerivs[Deriv::dC+ic] = bPureCoefficient[ic]; } } template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeCompressibilityFactor( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 & compressibilityFactor ) @@ -505,80 +896,61 @@ computeCompressibilityFactor( integer const numComps, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 const & compressibilityFactor, - real64 const & daMixtureCoefficient_dp, - real64 const & dbMixtureCoefficient_dp, - real64 const & daMixtureCoefficient_dt, - real64 const & dbMixtureCoefficient_dt, - arraySlice1d< real64 const > const daMixtureCoefficient_dz, - arraySlice1d< real64 const > const dbMixtureCoefficient_dz, - real64 & dcompressibilityFactor_dp, - real64 & dcompressibilityFactor_dt, - arraySlice1d< real64 > const dcompressibilityFactor_dz ) + arraySlice1d< real64 const > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 const > const & bMixtureCoefficientDerivs, + arraySlice1d< real64 > const & compressibilityFactorDerivs ) { - // a Z3 + b Z2 + cZ + d = 0 - // Derivatives for a,b,c,d - // dadx is zero; - real64 dbdx = 0.0; - real64 dcdx = 0.0; - real64 dddx = 0.0; - - constexpr real64 d1pd2 = EOS_TYPE::delta1 + EOS_TYPE::delta2; - constexpr real64 d1xd2 = EOS_TYPE::delta1 * EOS_TYPE::delta2; + real64 constexpr d1pd2 = EOS_TYPE::delta1 + EOS_TYPE::delta2; + real64 constexpr d1xd2 = EOS_TYPE::delta1 * EOS_TYPE::delta2; - constexpr real64 a = 1.0; + real64 constexpr a = 1.0; real64 const b = ( d1pd2 - 1.0 ) * bMixtureCoefficient - 1.0; real64 const c = aMixtureCoefficient + d1xd2 * bMixtureCoefficient * bMixtureCoefficient - d1pd2 * bMixtureCoefficient * ( bMixtureCoefficient + 1.0 ); // Implicit differentiation scale real64 const denominator = (3.0*a*compressibilityFactor + 2.0*b)*compressibilityFactor + c; - constexpr real64 epsilon = MultiFluidConstants::epsilon; - real64 const scalingFactor = fabs( denominator ) < epsilon ? 0.0 : -1.0 / denominator; - - // Pressure derivatives - dbdx = ( d1pd2 - 1.0 ) * dbMixtureCoefficient_dp; - dcdx = daMixtureCoefficient_dp + (2.0*(d1xd2-d1pd2)*bMixtureCoefficient-d1pd2)*dbMixtureCoefficient_dp; - dddx = -(aMixtureCoefficient*dbMixtureCoefficient_dp + daMixtureCoefficient_dp*bMixtureCoefficient - + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*dbMixtureCoefficient_dp)); - dcompressibilityFactor_dp = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; - - // Temperature derivatives - dbdx = ( d1pd2 - 1.0 ) * dbMixtureCoefficient_dt; - dcdx = daMixtureCoefficient_dt + (2.0*(d1xd2-d1pd2)*bMixtureCoefficient-d1pd2)*dbMixtureCoefficient_dt; - dddx = -(aMixtureCoefficient*dbMixtureCoefficient_dt + daMixtureCoefficient_dt*bMixtureCoefficient - + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*dbMixtureCoefficient_dt)); - dcompressibilityFactor_dt = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; - - // Composition derivatives - for( integer ic = 0; ic < numComps; ++ic ) + real64 const scalingFactor = LvArray::math::abs( denominator ) < MultiFluidConstants::epsilon ? 0.0 : -1.0 / denominator; + + integer const numDofs = numComps + 2; + + for( integer kc = 0; kc < numDofs; ++kc ) { - dbdx = ( d1pd2 - 1.0 ) * dbMixtureCoefficient_dz[ic]; - dcdx = daMixtureCoefficient_dz[ic] + (2.0*(d1xd2-d1pd2)*bMixtureCoefficient-d1pd2)*dbMixtureCoefficient_dz[ic]; - dddx = -(aMixtureCoefficient*dbMixtureCoefficient_dz[ic] + daMixtureCoefficient_dz[ic]*bMixtureCoefficient - + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*dbMixtureCoefficient_dz[ic])); - dcompressibilityFactor_dz[ic] = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; + // Given derivative of the mixture parameters a and b w.r.t. variable X, calculate the derivative of the + // compressibility factor (z-factor) w.r.t. X + real64 const da_dX = aMixtureCoefficientDerivs[kc]; + real64 const db_dX = bMixtureCoefficientDerivs[kc]; + // a Z3 + b Z2 + cZ + d = 0 + // Derivatives for a,b,c,d + real64 const dbdx = ( d1pd2 - 1.0 ) * db_dX; + real64 const dcdx = da_dX + ( 2.0*(d1xd2-d1pd2) * bMixtureCoefficient - d1pd2 )*db_dX; + real64 const dddx = -(aMixtureCoefficient*db_dX + da_dX*bMixtureCoefficient + + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*db_dX)); + compressibilityFactorDerivs[kc] = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; } } template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeLogFugacityCoefficients( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, real64 const & compressibilityFactor, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, - arraySlice1d< real64 > const logFugacityCoefficients ) + arraySlice1d< real64 > const & logFugacityCoefficients ) { stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > ki( numComps ); // ki for( integer ic = 0; ic < numComps; ++ic ) { + ki[ic] = 0.0; for( integer jc = 0; jc < numComps; ++jc ) { ki[ic] += composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); @@ -586,9 +958,13 @@ computeLogFugacityCoefficients( integer const numComps, } // E - real64 const E = log( ( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) - / ( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ) ); - real64 const F = log( compressibilityFactor - bMixtureCoefficient ); + real64 const expE = ( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) / + ( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ); + real64 const expF = compressibilityFactor - bMixtureCoefficient; + GEOS_ERROR_IF( expE < MultiFluidConstants::epsilon || expF < MultiFluidConstants::epsilon, + GEOS_FMT( "Cubic EOS failed with exp(E)={} and exp(F)={}", expE, expF )); + real64 const E = log( expE ); + real64 const F = log( expF ); real64 const G = 1.0 / ( ( EOS_TYPE::delta1 - EOS_TYPE::delta2 ) * bMixtureCoefficient ); real64 const A = aMixtureCoefficient; @@ -644,6 +1020,9 @@ solveCubicPolynomial( real64 const & m3, } } +using CubicEOSPR = CubicEOSPhaseModel< PengRobinsonEOS >; +using CubicEOSSRK = CubicEOSPhaseModel< SoaveRedlichKwongEOS >; + } // namespace compositional } // namespace constitutive diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp index 0ef7352233e..69e9d330496 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp @@ -42,6 +42,7 @@ struct KValueInitialization * @param[in] componentProperties The compositional component properties * @param[out] kValues the calculated k-values **/ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void @@ -49,7 +50,7 @@ struct KValueInitialization real64 const pressure, real64 const temperature, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const kValues ) + arraySlice1d< real64, USD > const & kValues ) { arrayView1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; arrayView1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; @@ -62,6 +63,39 @@ struct KValueInitialization } } + /** + * @brief Calculate gas-liquid k-values near the convergence pressure + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] componentProperties The compositional component properties + * @param[out] kValues the calculated k-values + **/ + template< integer USD > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computeConstantLiquidKvalue( integer const numComps, + real64 const pressure, + real64 const temperature, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64, USD > const & kValues ) + { + GEOS_UNUSED_VAR( pressure, temperature ); + arrayView1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; + real64 averagePressure = 0.0; // Average pressure + for( integer ic = 0; ic < numComps; ++ic ) + { + averagePressure += criticalPressure[ic]; + } + averagePressure /= numComps; + constexpr real64 kValueGap = 0.01; + for( integer ic = 0; ic < numComps; ++ic ) + { + kValues[ic] = criticalPressure[ic] < averagePressure ? 1.0/(1.0 + kValueGap) : 1.0/(1.0 - kValueGap); + } + } + /** * @brief Calculate water-gas k-value * @param[in] pressure pressure diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp index 7cd8e9508cf..8498deabe1a 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp @@ -24,6 +24,7 @@ #include "KValueInitialization.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" #include "constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp" +#include "denseLinearAlgebra/interfaces/blaslapack/BlasLapackLA.hpp" namespace geos { @@ -36,6 +37,7 @@ namespace compositional struct NegativeTwoPhaseFlash { + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: /** * @brief Perform negative two-phase EOS flash @@ -49,23 +51,28 @@ struct NegativeTwoPhaseFlash * @param[out] vapourComposition the calculated vapour phase composition * @return an indicator of success of the flash */ - template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR > + template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR, integer USD1, integer USD2, integer USD3 > GEOS_HOST_DEVICE static bool compute( integer const numComps, real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD1 > const & composition, ComponentProperties::KernelWrapper const & componentProperties, + arraySlice2d< real64, USD3 > const & kValues, real64 & vapourPhaseMoleFraction, - arrayView1d< real64 > const liquidComposition, - arrayView1d< real64 > const vapourComposition ) + arraySlice1d< real64, USD2 > const & liquidComposition, + arraySlice1d< real64, USD2 > const & vapourComposition ) { constexpr integer maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; stackArray1d< real64, maxNumComps > logLiquidFugacity( numComps ); stackArray1d< real64, maxNumComps > logVapourFugacity( numComps ); - stackArray1d< real64, maxNumComps > kVapourLiquid( numComps ); stackArray1d< real64, maxNumComps > fugacityRatios( numComps ); - stackArray1d< integer, maxNumComps > presentComponentIds( numComps ); + stackArray1d< integer, maxNumComps > availableComponents( numComps ); + auto const & kVapourLiquid = kValues[0]; + + calculatePresentComponents( numComps, composition, availableComponents ); + + auto const presentComponents = availableComponents.toSliceConst(); // Initialise compositions to feed composition for( integer ic = 0; ic < numComps; ++ic ) @@ -74,109 +81,339 @@ struct NegativeTwoPhaseFlash vapourComposition[ic] = composition[ic]; } - // Check for machine-zero feed values - integer presentCount = 0; + // Check if k-Values need to be initialised + bool needInitialisation = true; for( integer ic = 0; ic < numComps; ++ic ) { - if( MultiFluidConstants::epsilon < composition[ic] ) + if( kVapourLiquid[ic] < MultiFluidConstants::epsilon ) { - presentComponentIds[presentCount++] = ic; + needInitialisation = true; + break; } } - presentComponentIds.resize( presentCount ); - KValueInitialization::computeWilsonGasLiquidKvalue( numComps, - pressure, - temperature, - componentProperties, - kVapourLiquid ); + bool kValueReset = true; + constexpr real64 boundsTolerance = 1.0e-3; + 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 ); + }*/ + } + + vapourPhaseMoleFraction = RachfordRice::solve( kVapourLiquid.toSliceConst(), composition, presentComponents ); + real64 const initialVapourFraction = vapourPhaseMoleFraction; bool converged = false; for( localIndex iterationCount = 0; iterationCount < MultiFluidConstants::maxSSIIterations; ++iterationCount ) { - // Solve Rachford-Rice Equation - vapourPhaseMoleFraction = RachfordRice::solve( kVapourLiquid, composition, presentComponentIds ); + real64 const error = computeFugacityRatio< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >( + numComps, + pressure, + temperature, + composition, + componentProperties, + kVapourLiquid.toSliceConst(), + presentComponents, + vapourPhaseMoleFraction, + liquidComposition, + vapourComposition, + logLiquidFugacity.toSlice(), + logVapourFugacity.toSlice(), + fugacityRatios.toSlice() ); - // Assign phase compositions - for( integer const ic : presentComponentIds ) + // Compute fugacity ratios and check convergence + converged = (error < MultiFluidConstants::fugacityTolerance); + + if( converged ) { - liquidComposition[ic] = composition[ic] / ( 1.0 + vapourPhaseMoleFraction * ( kVapourLiquid[ic] - 1.0 ) ); - vapourComposition[ic] = kVapourLiquid[ic] * liquidComposition[ic]; + break; } - normalizeComposition( numComps, liquidComposition ); - normalizeComposition( numComps, vapourComposition ); + // Update K-values + if( (vapourPhaseMoleFraction < -boundsTolerance || vapourPhaseMoleFraction > 1.0+boundsTolerance) + && 0.2 < LvArray::math::abs( vapourPhaseMoleFraction-initialVapourFraction ) + && !kValueReset ) + { + KValueInitialization::computeConstantLiquidKvalue( numComps, + pressure, + temperature, + componentProperties, + kVapourLiquid ); + kValueReset = true; + } + else + { + for( integer const ic : presentComponents ) + { + 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 ) + { + vapourPhaseMoleFraction = 0.0; + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidComposition[ic] = composition[ic]; + vapourComposition[ic] = composition[ic]; + } + } + else if( 1.0 - vapourPhaseMoleFraction < MultiFluidConstants::epsilon ) + { + vapourPhaseMoleFraction = 1.0; + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidComposition[ic] = composition[ic]; + vapourComposition[ic] = composition[ic]; + } + } + + return converged; + } + + /** + * @brief Calculate derivatives from the two-phase negative flash + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] composition composition of the mixture + * @param[in] componentProperties The compositional component properties + * @param[in] vapourFraction the calculated vapour (gas) mole fraction + * @param[in] liquidComposition the calculated liquid phase composition + * @param[in] vapourComposition the calculated vapour phase composition + * @param[out] vapourFractionDerivs derivatives of the calculated vapour (gas) mole fraction + * @param[out] liquidCompositionDerivs derivatives of the calculated liquid phase composition + * @param[out] vapourCompositionDerivs derivatives of the calculated vapour phase composition + */ + template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR, integer USD1, integer USD2 > + GEOS_HOST_DEVICE + static void computeDerivatives( integer const numComps, + real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const vapourFraction, + arraySlice1d< real64 const, USD1 > const & liquidComposition, + arraySlice1d< real64 const, USD1 > const & vapourComposition, + arraySlice1d< real64, USD1 > const & vapourFractionDerivs, + arraySlice2d< real64, USD2 > const & liquidCompositionDerivs, + arraySlice2d< real64, USD2 > const & vapourCompositionDerivs ) + { + constexpr integer maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + constexpr integer maxNumDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + + integer const numDofs = numComps + 2; + + auto const setZero = []( real64 & val ) { val = 0.0; }; + LvArray::forValuesInSlice( vapourFractionDerivs, setZero ); + LvArray::forValuesInSlice( liquidCompositionDerivs, setZero ); + LvArray::forValuesInSlice( vapourCompositionDerivs, setZero ); + + // Check if we are single or 2-phase + if( vapourFraction < MultiFluidConstants::epsilon ) + { + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + vapourCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + } + } + else if( 1.0 - vapourFraction < MultiFluidConstants::epsilon ) + { + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + vapourCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + } + } + else + { + // Calculate the liquid and vapour fugacities and derivatives + stackArray1d< real64, maxNumComps > logLiquidFugacity( numComps ); + stackArray1d< real64, maxNumComps > logVapourFugacity( numComps ); + stackArray2d< real64, maxNumComps * maxNumDofs > logLiquidFugacityDerivs( numComps, numDofs ); + stackArray2d< real64, maxNumComps * maxNumDofs > logVapourFugacityDerivs( numComps, numDofs ); - // Compute the phase fugacities EOS_TYPE_LIQUID::computeLogFugacityCoefficients( numComps, pressure, temperature, liquidComposition, componentProperties, logLiquidFugacity ); + EOS_TYPE_LIQUID::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + liquidComposition, + componentProperties, + logLiquidFugacity, + logLiquidFugacityDerivs ); EOS_TYPE_VAPOUR::computeLogFugacityCoefficients( numComps, pressure, temperature, vapourComposition, componentProperties, logVapourFugacity ); + EOS_TYPE_VAPOUR::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + vapourComposition, + componentProperties, + logVapourFugacity, + logVapourFugacityDerivs ); - // Compute fugacity ratios and check convergence - converged = true; + constexpr integer maxNumVals = 2*MultiFluidConstants::MAX_NUM_COMPONENTS+1; + integer const numVals = 2*numComps; + stackArray1d< real64, maxNumVals > b( numVals + 1 ); + stackArray1d< real64, maxNumVals > x( numVals + 1 ); + stackArray2d< real64, maxNumVals * maxNumVals > A( numVals + 1, numVals + 1 ); - for( integer const ic : presentComponentIds ) + LvArray::forValuesInSlice( A.toSlice(), setZero ); + LvArray::forValuesInSlice( b.toSlice(), setZero ); + + for( integer ic = 0; ic < numComps; ++ic ) { - fugacityRatios[ic] = exp( logLiquidFugacity[ic] - logVapourFugacity[ic] ) * liquidComposition[ic] / vapourComposition[ic]; - if( MultiFluidConstants::fugacityTolerance < fabs( fugacityRatios[ic] - 1.0 ) ) + integer const xi = ic; + integer const yi = ic + numComps; + integer const vi = numVals; + + integer e = ic; + A( e, xi ) = 1.0 - vapourFraction; + A( e, yi ) = vapourFraction; + A( e, vi ) = vapourComposition[ic] - liquidComposition[ic]; + + e = ic + numComps; + real64 const phiL = exp( logLiquidFugacity( ic ) ); + real64 const phiV = exp( logVapourFugacity( ic ) ); + for( integer jc = 0; jc < numComps; ++jc ) { - converged = false; + integer const xj = jc; + integer const yj = jc + numComps; + real64 const dPhiLdx = logLiquidFugacityDerivs( ic, Deriv::dC+jc ); + real64 const dPhiVdy = logVapourFugacityDerivs( ic, Deriv::dC+jc ); + A( e, xj ) = liquidComposition[ic] * phiL * dPhiLdx; + A( e, yj ) = -vapourComposition[ic] * phiV * dPhiVdy; } - } + A( e, xi ) += phiL; + A( e, yi ) -= phiV; - if( converged ) - { - break; + e = numVals; + A( e, xi ) = -1.0; + A( e, yi ) = 1.0; } - - // Update K-values - for( integer const ic : presentComponentIds ) + // Pressure and temperature derivatives + for( integer const pc : {Deriv::dP, Deriv::dT} ) { - kVapourLiquid[ic] *= fugacityRatios[ic]; + for( integer ic = 0; ic < numComps; ++ic ) + { + real64 const phiL = exp( logLiquidFugacity( ic ) ); + real64 const phiV = exp( logVapourFugacity( ic ) ); + b( ic ) = 0.0; + b( ic + numComps ) = -liquidComposition[ic] * phiL * logLiquidFugacityDerivs( ic, pc ) + + vapourComposition[ic] * phiV * logVapourFugacityDerivs( ic, pc ); + } + b( numVals ) = 0.0; + solveLinearSystem( A, b, x ); + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, pc ) = x( ic ); + vapourCompositionDerivs( ic, pc ) = x( ic + numComps ); + } + vapourFractionDerivs( pc ) = x( numVals ); } - } - - // Retrieve physical bounds from negative flash values - if( vapourPhaseMoleFraction <= 0.0 ) - { - vapourPhaseMoleFraction = 0.0; - for( integer ic = 0; ic < numComps; ++ic ) + // Composition derivatives + for( integer kc = 0; kc < numComps; ++kc ) { - liquidComposition[ic] = composition[ic]; + integer const pc = Deriv::dC + kc; + + for( integer ic = 0; ic < numComps; ++ic ) + { + b( ic ) = -composition[ic]; + b( ic + numComps ) = 0.0; + } + b( kc ) += 1.0; + b( numVals ) = 0.0; + solveLinearSystem( A, b, x ); + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, pc ) = x( ic ); + vapourCompositionDerivs( ic, pc ) = x( ic + numComps ); + } + vapourFractionDerivs( pc ) = x( numVals ); } } - else if( 1.0 <= vapourPhaseMoleFraction ) + } + +private: + /** + * @brief Calculate which components are present. + * @details Creates a list of indices whose components have non-zero mole fraction. + * @param[in] numComps number of components + * @param[in] composition the composition of the fluid + * @param[out] presentComponents the list of present components + * @return the number of present components + */ + template< typename ARRAY > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static integer calculatePresentComponents( integer const numComps, + arraySlice1d< real64 const > const & composition, + ARRAY & presentComponents ) + { + // Check for machine-zero feed values + integer presentCount = 0; + for( integer ic = 0; ic < numComps; ++ic ) { - vapourPhaseMoleFraction = 1.0; - for( integer ic = 0; ic < numComps; ++ic ) + if( MultiFluidConstants::epsilon < composition[ic] ) { - vapourComposition[ic] = composition[ic]; + presentComponents[presentCount++] = ic; } } - - return converged; + presentComponents.resize( presentCount ); + return presentCount; } -private: /** * @brief Normalise a composition in place to ensure that the components add up to unity * @param[in] numComps number of components * @param[in/out] composition composition to be normalized * @return the sum of the given values */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static real64 normalizeComposition( integer const numComps, - arraySlice1d< real64 > const composition ) + arraySlice1d< real64, USD > const & composition ) { real64 totalMoles = 0.0; for( integer ic = 0; ic < numComps; ++ic ) @@ -190,6 +427,77 @@ struct NegativeTwoPhaseFlash } return totalMoles; } + + /** + * @brief Calculate the logarithms of the fugacity ratios + * @param[in] numComps number of components + * @param[in] composition composition to be normalized + */ + template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR, integer USD > + GEOS_HOST_DEVICE + static real64 computeFugacityRatio( + integer const numComps, + real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const, USD > const & kValues, + arraySlice1d< integer const > const & presentComponents, + real64 & vapourPhaseMoleFraction, + arraySlice1d< real64, USD > const & liquidComposition, + arraySlice1d< real64, USD > const & vapourComposition, + arraySlice1d< real64 > const & logLiquidFugacity, + arraySlice1d< real64 > const & logVapourFugacity, + arraySlice1d< real64 > const & fugacityRatios ) + { + // Solve Rachford-Rice Equation + vapourPhaseMoleFraction = RachfordRice::solve( kValues, composition, presentComponents ); + + // Assign phase compositions + for( integer const ic : presentComponents ) + { + liquidComposition[ic] = composition[ic] / ( 1.0 + vapourPhaseMoleFraction * ( kValues[ic] - 1.0 ) ); + vapourComposition[ic] = kValues[ic] * liquidComposition[ic]; + } + normalizeComposition( numComps, liquidComposition ); + normalizeComposition( numComps, vapourComposition ); + + // Compute the phase fugacities + EOS_TYPE_LIQUID::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + liquidComposition.toSliceConst(), + componentProperties, + logLiquidFugacity ); + EOS_TYPE_VAPOUR::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + vapourComposition.toSliceConst(), + componentProperties, + logVapourFugacity ); + + // Compute fugacity ratios and calculate the error + real64 error = 0.0; + for( integer const ic : presentComponents ) + { + fugacityRatios[ic] = ( logLiquidFugacity[ic] - logVapourFugacity[ic] ) + log( liquidComposition[ic] ) - log( vapourComposition[ic] ); + error += (fugacityRatios[ic]*fugacityRatios[ic]); + } + return LvArray::math::sqrt( error ); + } + + GEOS_HOST_DEVICE + static bool solveLinearSystem( arraySlice2d< real64 const > const & A, + arraySlice1d< real64 const > const & b, + arraySlice1d< real64 > const & x ) + { +#if defined(GEOS_DEVICE_COMPILE) + return false; +#else + BlasLapackLA::solveLinearSystem( A, b, x ); + return true; +#endif + } }; } // namespace compositional diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp index af7c05bb428..e166ad1157b 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp @@ -21,6 +21,7 @@ #include "common/DataTypes.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" namespace geos { @@ -44,36 +45,24 @@ struct RachfordRice /** * @brief Function solving the Rachford-Rice equation - * @input[in] kValues the array fo K-values + * @input[in] kValues the array of K-values * @input[in] feed the component fractions * @input[in] presentComponentIds the indices of components with a non-zero fractions * @return the gas mole fraction **/ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE real64 static - solve( arraySlice1d< real64 const > const kValues, - arraySlice1d< real64 const > const feed, - arraySlice1d< integer const > const presentComponentIds ) + solve( arraySlice1d< real64 const, USD2 > const & kValues, + arraySlice1d< real64 const, USD1 > const & feed, + arraySlice1d< integer const > const & presentComponentIds ) { real64 gasPhaseMoleFraction = 0; // min and max Kvalues for non-zero composition - real64 maxK = 0.0; - real64 minK = 1 / epsilon; - - for( integer i = 0; i < presentComponentIds.size(); ++i ) - { - integer const ic = presentComponentIds[i]; - if( kValues[ic] > maxK ) - { - maxK = kValues[ic]; - } - if( kValues[ic] < minK ) - { - minK = kValues[ic]; - } - } + real64 minK, maxK; + findKValueRange( kValues, presentComponentIds, minK, maxK ); // check for trivial solutions. // this corresponds to bad Kvalues @@ -179,12 +168,13 @@ struct RachfordRice * @input[in] x the value at which the Rachford-Rice function is evaluated * @return the value of the Rachford-Rice function at x **/ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE real64 static - evaluate( arraySlice1d< real64 const > const kValues, - arraySlice1d< real64 const > const feed, - arraySlice1d< integer const > const presentComponentIds, + evaluate( arraySlice1d< real64 const, USD2 > const & kValues, + arraySlice1d< real64 const, USD1 > const & feed, + arraySlice1d< integer const > const & presentComponentIds, real64 const & x ) { real64 value = 0.0; @@ -205,12 +195,13 @@ struct RachfordRice * @input[in] x the value at which the derivative of the Rachford-Rice function is evaluated * @return the value of the derivative of the Rachford-Rice function at x **/ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE real64 static - evaluateDerivative( arraySlice1d< real64 const > const kValues, - arraySlice1d< real64 const > const feed, - arraySlice1d< integer const > const presentComponentIds, + evaluateDerivative( arraySlice1d< real64 const, USD2 > const & kValues, + arraySlice1d< real64 const, USD1 > const & feed, + arraySlice1d< integer const > const & presentComponentIds, real64 const & x ) { real64 value = 0.0; @@ -224,6 +215,38 @@ struct RachfordRice return value; } + /** + * @brief Calculate the minimum and maximum k-value + * @input[in] kValues the array fo K-values + * @input[in] presentComponentIds the indices of components with a non-zero fractions + * @input[out] minK the minimum k-value for non-zero components + * @input[out] maxK the maximum k-value for non-zero components + **/ + template< integer USD > + GEOS_FORCE_INLINE + GEOS_HOST_DEVICE + void + static + findKValueRange( arraySlice1d< real64 const, USD > const & kValues, + arraySlice1d< integer const > const & presentComponentIds, + real64 & minK, + real64 & maxK ) + { + minK = 1.0 / epsilon; + maxK = 0.0; + for( integer const ic : presentComponentIds ) + { + if( kValues[ic] > maxK ) + { + maxK = kValues[ic]; + } + if( kValues[ic] < minK ) + { + minK = kValues[ic]; + } + } + } + }; } // namespace constitutive diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp index 2dec4ae3c57..db04c2cafc4 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp @@ -64,6 +64,16 @@ class ComponentProperties final */ integer getNumberOfComponents() const { return m_componentNames.size(); } + /** + * Data accessors + */ + arrayView1d< real64 > const & getComponentMolarWeight() const { return m_componentMolarWeight; } + arrayView1d< real64 > const & getComponentCriticalPressure() const { return m_componentCriticalPressure; } + arrayView1d< real64 > const & getComponentCriticalTemperature() const { return m_componentCriticalTemperature; } + arrayView1d< real64 > const & getComponentCriticalVolume() const { return m_componentCriticalVolume; } + arrayView1d< real64 > const & getComponentAcentricFactor() const { return m_componentAcentricFactor; } + arrayView1d< real64 > const & getComponentVolumeShift() const { return m_componentVolumeShift; } + struct KernelWrapper { KernelWrapper( arrayView1d< real64 const > const & componentMolarWeight, diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp index 50a35083871..da9ec1e02cc 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp @@ -25,20 +25,7 @@ namespace constitutive { namespace compositional -{ - -CompositionalDensity::CompositionalDensity( string const & name, - ComponentProperties const & componentProperties ): - FunctionBase( name, componentProperties ) -{} - -CompositionalDensity::KernelWrapper -CompositionalDensity::createKernelWrapper() const -{ - return KernelWrapper(); -} - -} // namespace PVTProps +{} // namespace compositional } // namespace constitutive diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp index 9a7fcf557a1..ea0a9b27319 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp @@ -22,6 +22,8 @@ #include "FunctionBase.hpp" #include "constitutive/fluid/multifluid/MultiFluidUtils.hpp" +#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp" namespace geos { @@ -32,40 +34,43 @@ namespace constitutive namespace compositional { +template< typename EOS_TYPE > class CompositionalDensityUpdate final : public FunctionBaseUpdate { public: - CompositionalDensityUpdate() = default; + explicit CompositionalDensityUpdate( arrayView1d< real64 const > const & volumeShift ) + : m_componentDimensionalVolumeShift( volumeShift ) + {} - template< int USD1 > + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void compute( ComponentProperties::KernelWrapper const & componentProperties, real64 const & pressure, real64 const & temperature, arraySlice1d< real64 const, USD1 > const & phaseComposition, real64 & molarDensity, + arraySlice1d< real64, USD2 > const & dMolarDensity, real64 & massDensity, + arraySlice1d< real64, USD2 > const & dMassDensity, bool useMass ) const; - template< int USD1, int USD2, int USD3 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 & molarDensity, - arraySlice1d< real64, USD3 > const & dMolarDensity, - real64 & massDensity, - arraySlice1d< real64, USD3 > const & dMassDensity, - bool useMass ) const; +private: + arrayView1d< real64 const > m_componentDimensionalVolumeShift; }; +template< typename EOS_TYPE > class CompositionalDensity : public FunctionBase { public: CompositionalDensity( string const & name, - ComponentProperties const & componentProperties ); + ComponentProperties const & componentProperties ) + : FunctionBase( name, componentProperties ) + { + // Calculate the dimensional volume shift + m_componentDimensionalVolumeShift.resize( componentProperties.getNumberOfComponents()); + EOS_TYPE::calculateDimensionalVolumeShift( componentProperties, + m_componentDimensionalVolumeShift ); + } static string catalogName() { return "CompositionalDensity"; } @@ -75,53 +80,68 @@ class CompositionalDensity : public FunctionBase } /// Type of kernel wrapper for in-kernel update - using KernelWrapper = CompositionalDensityUpdate; + using KernelWrapper = CompositionalDensityUpdate< EOS_TYPE >; /** * @brief Create an update kernel wrapper. * @return the wrapper */ - KernelWrapper createKernelWrapper() const; -}; - -template< int USD1 > -GEOS_HOST_DEVICE -void CompositionalDensityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - real64 & molarDensity, - real64 & massDensity, - bool useMass ) const -{ - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); - GEOS_UNUSED_VAR( phaseComposition ); + KernelWrapper createKernelWrapper() const + { + return KernelWrapper( m_componentDimensionalVolumeShift ); + } - massDensity = 1000.0; - molarDensity = massDensity/40.0; -} +private: + array1d< real64 > m_componentDimensionalVolumeShift; +}; -template< int USD1, int USD2, int USD3 > +template< typename EOS_TYPE > +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE -void CompositionalDensityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 & molarDensity, - arraySlice1d< real64, USD3 > const & dMolarDensity, - real64 & massDensity, - arraySlice1d< real64, USD3 > const & dMassDensity, - bool useMass ) const +void CompositionalDensityUpdate< EOS_TYPE >:: +compute( ComponentProperties::KernelWrapper const & componentProperties, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 & molarDensity, + arraySlice1d< real64, USD2 > const & dMolarDensity, + real64 & massDensity, + arraySlice1d< real64, USD2 > const & dMassDensity, + bool useMass ) const { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); - GEOS_UNUSED_VAR( phaseComposition, dPhaseComposition ); - - massDensity = 1000.0; - molarDensity = massDensity/40.0; - - LvArray::forValuesInSlice( dMolarDensity, setZero ); - LvArray::forValuesInSlice( dMassDensity, setZero ); + GEOS_UNUSED_VAR( useMass ); + + integer const numComps = componentProperties.m_componentMolarWeight.size(); + integer const numDofs = 2 + numComps; + + real64 compressibilityFactor = 0.0; + stackArray1d< real64, 2+MultiFluidConstants::MAX_NUM_COMPONENTS > tempDerivs( numDofs ); + + EOS_TYPE::computeCompressibilityFactor( numComps, + pressure, + temperature, + phaseComposition, + componentProperties, + compressibilityFactor, + tempDerivs.toSlice() ); + + CompositionalProperties::computeMolarDensity( numComps, + pressure, + temperature, + phaseComposition, + m_componentDimensionalVolumeShift.toSliceConst(), + compressibilityFactor, + tempDerivs.toSlice(), + molarDensity, + dMolarDensity ); + + CompositionalProperties::computeMassDensity( numComps, + phaseComposition, + componentProperties.m_componentMolarWeight.toSliceConst(), + molarDensity, + dMolarDensity.toSliceConst(), + massDensity, + dMassDensity ); } } // end namespace compositional diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp index 45a38d28a11..83948f00cbb 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp @@ -35,27 +35,16 @@ class ConstantViscosityUpdate final : public FunctionBaseUpdate public: ConstantViscosityUpdate() = default; - template< int USD1 > + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void compute( ComponentProperties::KernelWrapper const & componentProperties, real64 const & pressure, real64 const & temperature, arraySlice1d< real64 const, USD1 > const & phaseComposition, real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, real64 & viscosity, - bool useMass ) const; - - template< int USD1, int USD2, int USD3 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 const & density, - arraySlice1d< real64 const, USD3 > const & dDensity, - real64 & viscosity, - arraySlice1d< real64, USD3 > const & dViscosity, + arraySlice1d< real64, USD2 > const & dViscosity, bool useMass ) const; }; @@ -82,7 +71,7 @@ class ConstantViscosity : public FunctionBase KernelWrapper createKernelWrapper() const; }; -template< int USD1 > +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE GEOS_FORCE_INLINE void ConstantViscosityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, @@ -90,32 +79,13 @@ void ConstantViscosityUpdate::compute( ComponentProperties::KernelWrapper const real64 const & temperature, arraySlice1d< real64 const, USD1 > const & phaseComposition, real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, real64 & viscosity, + arraySlice1d< real64, USD2 > const & dViscosity, bool useMass ) const { GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); GEOS_UNUSED_VAR( phaseComposition ); - GEOS_UNUSED_VAR( density ); - - viscosity = 0.001; -} - -template< int USD1, int USD2, int USD3 > -GEOS_HOST_DEVICE -GEOS_FORCE_INLINE -void ConstantViscosityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 const & density, - arraySlice1d< real64 const, USD3 > const & dDensity, - real64 & viscosity, - arraySlice1d< real64, USD3 > const & dViscosity, - bool useMass ) const -{ - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); - GEOS_UNUSED_VAR( phaseComposition, dPhaseComposition ); GEOS_UNUSED_VAR( density, dDensity ); viscosity = 0.001; diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp new file mode 100644 index 00000000000..e9b3f1b4043 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp @@ -0,0 +1,51 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/** + * @file LohrenzBrayClarkViscosity.cpp + */ + +#include "LohrenzBrayClarkViscosity.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" +#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" + +namespace geos +{ + +namespace constitutive +{ + +namespace compositional +{ + +LohrenzBrayClarkViscosityUpdate::LohrenzBrayClarkViscosityUpdate( MixingType const mixing_type ) + : m_mixing_type( mixing_type ) +{} + +LohrenzBrayClarkViscosity::LohrenzBrayClarkViscosity( string const & name, + ComponentProperties const & componentProperties ): + FunctionBase( name, componentProperties ) +{} + +LohrenzBrayClarkViscosity::KernelWrapper +LohrenzBrayClarkViscosity::createKernelWrapper() const +{ + return KernelWrapper( m_mixing_type ); +} + +} // end namespace compositional + +} // namespace constitutive + +} // end namespace geos diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp new file mode 100644 index 00000000000..647fa663e15 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp @@ -0,0 +1,304 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/** + * @file LohrenzBrayClarkViscosity.hpp + */ + +#ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITY_HPP_ +#define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITY_HPP_ + +#include "FunctionBase.hpp" +#include "codingUtilities/EnumStrings.hpp" + +namespace geos +{ + +namespace constitutive +{ + +namespace compositional +{ + +class LohrenzBrayClarkViscosityUpdate final : public FunctionBaseUpdate +{ +public: +/** + * @brief Mixing types for phase viscosity + */ + enum class MixingType : integer + { + HERNING_ZIPPERER, + WILKE, + BROKAW + }; + +public: + explicit LohrenzBrayClarkViscosityUpdate( MixingType const mixing_type ); + + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void compute( ComponentProperties::KernelWrapper const & componentProperties, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, + real64 & viscosity, + arraySlice1d< real64, USD2 > const & dViscosity, + bool useMass ) const; + + GEOS_HOST_DEVICE + void setMixingType( MixingType const mixing_type ) + { + m_mixing_type = mixing_type; + } + +private: + /** + * @brief Estimate pure component properties at dilute-gas conditions + * @details This estimates pure component properties at dilute-gas conditions (pressure near atmospheric) using + * Stiel and Thodos [1961] correlation: https://doi.org/10.1002/aic.690070416 + * Dilute viscosity is solely temperature dependent + * Units are converted so componentViscosity is in centipoise to match original reference + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[out] componentDiluteViscosity The compoment dilute viscosity + * @param[out] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + */ + GEOS_HOST_DEVICE + void computeComponentDiluteViscosity_StielThodos( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 > const componentDiluteViscosity, + arraySlice1d< real64 > const dComponentDiluteViscosity_dTemperature ) const + { + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 const criticalPressure = componentProperties.m_componentCriticalPressure[ic]; + real64 const criticalTemperature = componentProperties.m_componentCriticalTemperature[ic]; + real64 const molarWeight = componentProperties.m_componentMolarWeight[ic]; + + real64 reducedTemperature = temperature / criticalTemperature; + real64 inverseComponentChi = 0.0; + real64 discardDerivative = 0.0; + inverseChiParameter( criticalPressure, criticalTemperature, molarWeight, inverseComponentChi, + discardDerivative, discardDerivative, discardDerivative ); + + if( molarWeight < 2.1e-3 ) // hydrogen correlation, Stiel & Thodos, 1961, Eq. 12 + { + componentDiluteViscosity[ic] = 90.71e-5 * pow( 0.1375*temperature - 1.67, 0.625 ); + dComponentDiluteViscosity_dTemperature[ic] = 90.71e-5 * 0.625 * 0.1375 * pow( 0.1375*temperature - 1.67, -0.375 ); + } + else if( reducedTemperature <= 1.5 ) // nonpolar gas correlation at low temp, Eq. 9 + { + componentDiluteViscosity[ic] = 34e-5 * pow( reducedTemperature, 0.94 ) * inverseComponentChi; + dComponentDiluteViscosity_dTemperature[ic] = 34e-5 * 0.94 * pow( reducedTemperature, -0.06 ) * inverseComponentChi / criticalTemperature; + } + else // nonpolar gas correlation at high temp, Eq. 10 + { + componentDiluteViscosity[ic] = 17.78e-5 * pow( 4.58*reducedTemperature-1.67, 0.625 ) * inverseComponentChi; + dComponentDiluteViscosity_dTemperature[ic] = 17.78e-5 * 4.58 * 0.625 * pow( 4.58*reducedTemperature-1.67, -0.375 ) * inverseComponentChi / criticalTemperature; + } + } + } + + /** + * @brief Estimate phase viscosity at dilute-gas conditions using Herning and Zipperer [1936] + * @details This estimates the phase viscosity properties at dilute-gas conditions (pressure near atmospheric) using + * Herning and Zipperer [1936] mixing rule. + * Herning, F. and Zipperer, L,: “Calculation of the Viscosity of Technical Gas Mixtures from the + * Viscosity of Individual Gases, german”, Gas u. Wasserfach (1936) 79, No. 49, 69. + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[in] phaseComposition The composition of the phase + * @param[in] componentDiluteViscosity The compoment dilute viscosity + * @param[in] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseDiluteViscosity_HerningZipperer( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Estimate phase viscosity at dilute-gas conditions using Wilke [1950] + * @details This estimates the phase viscosity properties at dilute-gas conditions (pressure near atmospheric) using + * Wilke [1950] mixing rule. https://doi.org/10.1063/1.1747673 + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[in] phaseComposition The composition of the phase + * @param[in] componentDiluteViscosity The compoment dilute viscosity + * @param[in] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseDiluteViscosity_Wilke( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Estimate phase viscosity at dilute-gas conditions using Brokaw[1968] + * @details This estimates the phase viscosity properties at dilute-gas conditions (pressure near atmospheric) using + * Brokaw[1968] mixing rule. + * Brokaw, R. S. (1968). Viscosity of Gas Mixtures. United States: National Aeronautics and Space Administration. + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[in] phaseComposition The composition of the phase + * @param[in] componentDiluteViscosity The compoment dilute viscosity + * @param[in] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseDiluteViscosity_Brokaw( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Estimates phase viscosity using Lohrenz, Bray & Clark [1964] + * @details This estimates the phase viscosity at given (P,T) conditions using the Lohrenz, Bray & Clark [1964] correlation. + * This is an additional term added to the dilute gas estimate. + * https://doi.org/10.2118/915-PA + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] phaseComposition The composition of the phase + * @param[in] phaseDensity The phase density + * @param[in] dPhaseDensity The derivatives of the phase density + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseViscosity_LohrenzBrayClark( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const phaseDensity, + arraySlice1d< real64 const, USD2 > const & dPhaseDensity, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Computes inverse chi parameter + * @details Computes "1/chi" parameter (inverse of the viscosity-reducing parameter) from [ST 1961, LBC 1964]. + * Using units of (K, atm, amu). + * @param[in] criticalPressure The component critical pressure + * @param[in] criticalTemperature The component critical temperature + * @param[in] molarWeight The component molar weight + * @param[out] value The inverse chi parameter + * @param[out] derivP Derivative of the inverse chi parameter w.r.t. pressure + * @param[out] derivT Derivative of the inverse chi parameter w.r.t. temperature + * @param[out] derivM Derivative of the inverse chi parameter w.r.t. molar weight + */ + GEOS_HOST_DEVICE + void inverseChiParameter( real64 const criticalPressure, + real64 const criticalTemperature, + real64 const molarWeight, + real64 & value, + real64 & derivP, + real64 & derivT, + real64 & derivM ) const + { + real64 T = pow( criticalTemperature, 1.0/6.0 ); + real64 dT = (1.0/6.0) * pow( criticalTemperature, -5.0/6.0 ); + + real64 constexpr sqrt1000 = 31.6227766017; // note: kg/mol to atomic mass units + real64 M = sqrt1000 * sqrt( molarWeight ); + real64 dM = 0.5 * sqrt1000 / sqrt( molarWeight ); + + real64 P = pow( criticalPressure / PA_TO_ATM, 2.0/3.0 ); // note: pascal to atm conversion + real64 dP = pow( PA_TO_ATM, -2.0/3.0 ) * pow( criticalPressure, -1.0/3.0 ) * 2.0/3.0; + + value = M*P/T; + derivP = M*dP/T; + derivT = -M*P*dT/(T*T); + derivM = dM*P/T; + } + +private: + MixingType m_mixing_type; + +private: + // Conversion factor from cP to Pa.s + static constexpr real64 CP_TO_PAS = 1.0e-3; + // Conversion from Pa to atm + static constexpr real64 PA_TO_ATM = 1.01325e+5; +}; + +class LohrenzBrayClarkViscosity : public FunctionBase +{ +public: + LohrenzBrayClarkViscosity( string const & name, + ComponentProperties const & componentProperties ); + + static string catalogName() { return "LBC"; } + + FunctionType functionType() const override + { + return FunctionType::VISCOSITY; + } + + /// Type of kernel wrapper for in-kernel update + using KernelWrapper = LohrenzBrayClarkViscosityUpdate; + + /** + * @brief Create an update kernel wrapper. + * @return the wrapper + */ + KernelWrapper createKernelWrapper() const; + +private: + LohrenzBrayClarkViscosityUpdate::MixingType m_mixing_type{LohrenzBrayClarkViscosityUpdate::MixingType::HERNING_ZIPPERER}; +}; + +/// Declare strings associated with enumeration values. +ENUM_STRINGS( LohrenzBrayClarkViscosityUpdate::MixingType, + "Herning-Zipperer", + "Wilke", + "Brokaw" ); + +} // end namespace compositional + +} // end namespace constitutive + +} // end namespace geos + +// Implementation +#include "LohrenzBrayClarkViscosityImpl.hpp" + +#endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITY_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp new file mode 100644 index 00000000000..3811c5950d9 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp @@ -0,0 +1,408 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/** + * @file LohrenzBrayClarkViscosityImpl.hpp + */ + +#ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITYIMPL_HPP_ +#define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITYIMPL_HPP_ + +#include "LohrenzBrayClarkViscosity.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" +#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" + +namespace geos +{ + +namespace constitutive +{ + +namespace compositional +{ + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, + real64 & viscosity, + arraySlice1d< real64, USD2 > const & dViscosity, + bool useMass ) const +{ + GEOS_UNUSED_VAR( pressure ); // No-direct pressure dependence (instead through density) + GEOS_UNUSED_VAR( useMass ); + + integer constexpr maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + integer constexpr maxNumDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + integer const numComponents = componentProperties.m_componentMolarWeight.size(); + integer const numDofs = numComponents + 2; + + // Space for temporary variable derivatives + stackArray1d< real64, maxNumDofs > tempDerivs( numDofs ); + + // Estimate pure component properties at dilute-gas conditions (pressure near atmospheric) using + // Stiel and Thodos [1961] correlation: https://doi.org/10.1002/aic.690070416 + // Dilute viscosity is solely temperature dependent + // Units are converted so componentViscosity is in centipoise to match original reference + + stackArray1d< real64, maxNumComps > componentDiluteViscosity( numComponents ); + + computeComponentDiluteViscosity_StielThodos( numComponents, + componentProperties, + temperature, + componentDiluteViscosity, + tempDerivs ); + + // Estimate phase viscosity (in cp) at dilute gas conditions using either + // the Herning and Zipperer [1936], Wilke [1950], or Brokaw[1968] mixture rule. + // The classic LBC model uses Herning-Zipperer, but the other two may be more accurate. + + if( m_mixing_type == MixingType::HERNING_ZIPPERER ) + { + computePhaseDiluteViscosity_HerningZipperer( numComponents, + componentProperties, + temperature, + phaseComposition, + componentDiluteViscosity, + tempDerivs, + viscosity, + dViscosity ); + } + else if( m_mixing_type == MixingType::WILKE ) + { + computePhaseDiluteViscosity_Wilke( numComponents, + componentProperties, + temperature, + phaseComposition, + componentDiluteViscosity, + tempDerivs, + viscosity, + dViscosity ); + } + else if( m_mixing_type == MixingType::BROKAW ) + { + computePhaseDiluteViscosity_Brokaw( numComponents, + componentProperties, + temperature, + phaseComposition, + componentDiluteViscosity, + tempDerivs, + viscosity, + dViscosity ); + } + + // Estimate phase viscosity at given (P,T) conditions using LBC [1964] correlation. + // This is an additional term added to the dilute gas estimate above. + computePhaseViscosity_LohrenzBrayClark( numComponents, + componentProperties, + phaseComposition, + density, + dDensity, + viscosity, + dViscosity ); + + // Scale centipoise to pascal.seconds + viscosity *= CP_TO_PAS; + for( integer kc = 0; kc < numDofs; ++kc ) + { + dViscosity[kc] *= CP_TO_PAS; + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseDiluteViscosity_HerningZipperer( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + GEOS_UNUSED_VAR( temperature ); + + real64 A = 0.0; + real64 dA_dT = 0.0; + real64 B = 0.0; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 const sqrtMolarWeight = sqrt( componentProperties.m_componentMolarWeight[ic] ); + A += phaseComposition[ic] * sqrtMolarWeight * componentDiluteViscosity[ic]; + B += phaseComposition[ic] * sqrtMolarWeight; + dA_dT += phaseComposition[ic] * sqrtMolarWeight * dComponentDiluteViscosity_dTemperature[ic]; + } + + phaseViscosity = A/B; + dPhaseViscosity[Deriv::dP] = 0.0; + dPhaseViscosity[Deriv::dT] = dA_dT/B; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 const sqrtMolarWeight = sqrt( componentProperties.m_componentMolarWeight[ic] ); + real64 const dA_dxi = sqrtMolarWeight * componentDiluteViscosity[ic]; + real64 const dB_dxi = sqrtMolarWeight; + dPhaseViscosity[Deriv::dC+ic] = dA_dxi / B - A * dB_dxi / (B * B); + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseDiluteViscosity_Wilke( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + GEOS_UNUSED_VAR( temperature ); + + // compute the "phi" interaction matrix (and its temperature derivatives) + integer constexpr maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + stackArray2d< real64, maxNumComps *maxNumComps > phi( numComponents, numComponents ); + stackArray2d< real64, maxNumComps *maxNumComps > dPhi_dT( numComponents, numComponents ); + + LvArray::forValuesInSlice( phi.toSlice(), setZero ); + LvArray::forValuesInSlice( dPhi_dT.toSlice(), setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + for( integer jc = 0; jc < numComponents; ++jc ) + { + real64 const mw_i = componentProperties.m_componentMolarWeight[ic]; + real64 const mw_j = componentProperties.m_componentMolarWeight[jc]; + + real64 const weightRatio = mw_i / mw_j; + + real64 const invVisc_j = 1.0 / componentDiluteViscosity[jc]; + real64 const viscosityRatio = componentDiluteViscosity[ic] * invVisc_j; + + real64 const dViscosityRatio_dT = dComponentDiluteViscosity_dTemperature[ic] * invVisc_j + - componentDiluteViscosity[ic] * dComponentDiluteViscosity_dTemperature[jc] * invVisc_j * invVisc_j; + + real64 const A = 1.0 + sqrt( viscosityRatio )*pow( weightRatio, -0.25 ); + real64 const dA_dT = 0.5*pow( weightRatio, -0.25 )/sqrt( viscosityRatio )*dViscosityRatio_dT; + + real64 const B = A*A; + real64 const dB_dT = 2.0*A*dA_dT; + real64 const C = sqrt( 8.0 )*sqrt( 1.0 + weightRatio ); + + phi( ic, jc ) = B/C; + dPhi_dT( ic, jc ) = dB_dT/C; + } + } + + // compute phase viscosity via Wilke mixing rule + + phaseViscosity = 0; + LvArray::forValuesInSlice( dPhaseViscosity, setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 A = 0; + real64 dA_dT = 0; + + for( integer jc = 0; jc < numComponents; ++jc ) + { + A += phi( ic, jc )*phaseComposition[jc]; + dA_dT += dPhi_dT( ic, jc )*phaseComposition[jc]; + } + + phaseViscosity += phaseComposition[ic] * componentDiluteViscosity[ic] / A; + dPhaseViscosity[Deriv::dT] += phaseComposition[ic] * dComponentDiluteViscosity_dTemperature[ic] / A + - phaseComposition[ic] * componentDiluteViscosity[ic] / (A*A) * dA_dT; + + dPhaseViscosity[Deriv::dC+ic] += componentDiluteViscosity[ic] / A; + + // the following is some tricky loop merging. the derivatives for other components "jc" will depend on the value of A + // computed above for component "ic", so we add these entries for other derivatives immediately. + + for( integer jc = 0; jc < numComponents; ++jc ) + { + dPhaseViscosity[Deriv::dC+jc] -= phaseComposition[ic] * componentDiluteViscosity[ic] / (A*A) * phi( ic, jc ); + } + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseDiluteViscosity_Brokaw( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + GEOS_UNUSED_VAR( temperature ); + + // Compute the "phi" interaction matrix (constant, as only function of molecular weights) + integer constexpr maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + stackArray2d< real64, maxNumComps *maxNumComps > phi( numComponents, numComponents ); + + LvArray::forValuesInSlice( phi.toSlice(), setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + for( integer jc = 0; jc < ic; ++jc ) + { + real64 const mw_i = componentProperties.m_componentMolarWeight[ic]; + real64 const mw_j = componentProperties.m_componentMolarWeight[jc]; + real64 const A = mw_i / mw_j; + real64 const B = pow( 4.0*mw_i*mw_j/((mw_i+mw_j)*(mw_i+mw_j)), 0.25 ); + real64 const A45 = pow( A, 0.45 ); + + phi( ic, jc ) = B/sqrt( A ) * (1.0 + (A-A45)/(2.0 + 2.0*A + B*(1+A45) / (1+B))); + phi( jc, ic ) = phi( ic, jc ); + } + phi( ic, ic ) = 1.0; + } + + phaseViscosity = 0.0; + LvArray::forValuesInSlice( dPhaseViscosity, setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 A = 0; + real64 dA_dT = 0; + + for( integer jc = 0; jc < numComponents; ++jc ) + { + real64 const aij = phi( ic, jc )*phaseComposition[jc] / sqrt( componentDiluteViscosity[jc] ); + A += aij; + dA_dT -= 0.5*aij*dComponentDiluteViscosity_dTemperature[jc] / componentDiluteViscosity[jc]; + } + + real64 const sqrtComponentDiluteViscosity = sqrt( componentDiluteViscosity[ic] ); + phaseViscosity += phaseComposition[ic] * sqrtComponentDiluteViscosity / A; + + dPhaseViscosity[Deriv::dT] += 0.5*phaseComposition[ic] / sqrtComponentDiluteViscosity * dComponentDiluteViscosity_dTemperature[ic] / A + - phaseComposition[ic] * sqrtComponentDiluteViscosity / (A*A) * dA_dT; + + dPhaseViscosity[Deriv::dC+ic] += sqrtComponentDiluteViscosity / A; + + // the following is some tricky loop merging. the derivatives for other components "jc" will depend on the value of A + // computed above for component "ic", so we add these entries for other derivatives immediately. + + for( integer jc = 0; jc < numComponents; ++jc ) + { + dPhaseViscosity[Deriv::dC+jc] -= phaseComposition[ic] * phi( ic, jc ) * sqrt( componentDiluteViscosity[ic]/componentDiluteViscosity[jc] ) / (A*A); + } + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseViscosity_LohrenzBrayClark( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const phaseDensity, + arraySlice1d< real64 const, USD2 > const & dPhaseDensity, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + // Compute phase pseudo properties via Kay's mixing rule + real64 phaseCriticalPressure = 0.0; + real64 phaseCriticalTemperature = 0.0; + real64 phaseCriticalVolume = 0.0; + real64 phaseMolarWeight = 0.0; + + auto const & criticalPressure = componentProperties.m_componentCriticalPressure; + auto const & criticalTemperature = componentProperties.m_componentCriticalTemperature; + auto const & criticalVolume = componentProperties.m_componentCriticalVolume; + auto const & molarWeight = componentProperties.m_componentMolarWeight; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + phaseCriticalPressure += phaseComposition[ic] * criticalPressure[ic]; + phaseCriticalTemperature += phaseComposition[ic] * criticalTemperature[ic]; + phaseCriticalVolume += phaseComposition[ic] * criticalVolume[ic]; + phaseMolarWeight += phaseComposition[ic] * molarWeight[ic]; + } + + // Compute LBC polynomial + + real64 reducedDensity = phaseDensity * phaseCriticalVolume / phaseMolarWeight; + real64 inversePhaseChi, dInversePhaseChi_dPc, dInversePhaseChi_dTc, dInversePhaseChi_dMw; + + inverseChiParameter( phaseCriticalPressure, + phaseCriticalTemperature, + phaseMolarWeight, + inversePhaseChi, + dInversePhaseChi_dPc, + dInversePhaseChi_dTc, + dInversePhaseChi_dMw ); + + real64 polynomialOne = 0.1023000 + + 0.0233640*reducedDensity + + 0.0585330*pow( reducedDensity, 2 ) + - 0.0407580*pow( reducedDensity, 3 ) + + 0.0093324*pow( reducedDensity, 4 ); + + real64 polynomialTwo = pow( polynomialOne, 4.0 ) - 1.0e-4; + + // add polynomial contribution to dilute term to get final phase viscosity + + phaseViscosity += polynomialTwo * inversePhaseChi; + + // get derivatives, noting phaseDensity is a function of (pressure, temperature, composition) + // and inversePhaseChi is a function of composition. + // these derivatives are *added* to the ones already present from the dilute terms above. + + real64 dPolynomialOne_dReducedDensity = 0.0233640 + + 0.1170660*reducedDensity + - 0.1222740*pow( reducedDensity, 2 ) + + 0.0373296*pow( reducedDensity, 3 ); + real64 dPolynomialTwo_dReducedDensity = 4.0 * pow( polynomialOne, 3.0 ) * dPolynomialOne_dReducedDensity; + + real64 dViscosity_dDensity = dPolynomialTwo_dReducedDensity * inversePhaseChi * phaseCriticalVolume / phaseMolarWeight; + real64 dViscosity_dCriticalRatio = dPolynomialTwo_dReducedDensity * inversePhaseChi * phaseDensity; + + real64 dViscosity_dPc = polynomialTwo * dInversePhaseChi_dPc; + real64 dViscosity_dTc = polynomialTwo * dInversePhaseChi_dTc; + real64 dViscosity_dMw = polynomialTwo * dInversePhaseChi_dMw - dViscosity_dCriticalRatio * phaseCriticalVolume / pow( phaseMolarWeight, 2 ); + real64 dViscosity_dVc = dViscosity_dCriticalRatio / phaseMolarWeight; + + dPhaseViscosity[Deriv::dP] += dViscosity_dDensity * dPhaseDensity[Deriv::dP]; + dPhaseViscosity[Deriv::dT] += dViscosity_dDensity * dPhaseDensity[Deriv::dT]; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + dPhaseViscosity[Deriv::dC+ic] += dViscosity_dDensity * dPhaseDensity[Deriv::dC+ic] + + dViscosity_dPc * criticalPressure[ic] + + dViscosity_dTc * criticalTemperature[ic] + + dViscosity_dMw * molarWeight[ic] + + dViscosity_dVc * criticalVolume[ic]; + } +} + +} // end namespace compositional + +} // namespace constitutive + +} // end namespace geos + +#endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITYIMPL_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp index 48048202020..836694ac9fb 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp @@ -45,13 +45,17 @@ template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR > typename NegativeTwoPhaseFlashModel< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >::KernelWrapper NegativeTwoPhaseFlashModel< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >::createKernelWrapper() const { - return KernelWrapper( m_componentProperties.getNumberOfComponents() ); + return KernelWrapper( m_componentProperties.getNumberOfComponents(), 0, 1 ); } template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR > NegativeTwoPhaseFlashModelUpdate< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >:: -NegativeTwoPhaseFlashModelUpdate( integer const numComponents ): - m_numComponents( numComponents ) +NegativeTwoPhaseFlashModelUpdate( integer const numComponents, + integer const liquidIndex, + integer const vapourIndex ): + m_numComponents( numComponents ), + m_liquidIndex( liquidIndex ), + m_vapourIndex( vapourIndex ) {} // Explicit instantiation of the model template. diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp index e9d6d17ef6c..d9a50bb0f9c 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp @@ -24,6 +24,7 @@ #include "constitutive/fluid/multifluid/Layouts.hpp" #include "constitutive/fluid/multifluid/MultiFluidUtils.hpp" #include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp" namespace geos { @@ -42,54 +43,61 @@ class NegativeTwoPhaseFlashModelUpdate final : public FunctionBaseUpdate using PhaseProp = MultiFluidVar< real64, 3, multifluid::LAYOUT_PHASE, multifluid::LAYOUT_PHASE_DC >; using PhaseComp = MultiFluidVar< real64, 4, multifluid::LAYOUT_PHASE_COMP, multifluid::LAYOUT_PHASE_COMP_DC >; - explicit NegativeTwoPhaseFlashModelUpdate( integer const numComponents ); + NegativeTwoPhaseFlashModelUpdate( integer const numComponents, + integer const liquidIndex, + integer const vapourIndex ); // Mark as a 2-phase flash GEOS_HOST_DEVICE static constexpr integer getNumberOfPhases() { return 2; } - template< int USD1, int USD2, int USD3 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & compFraction, - arraySlice1d< real64, USD2 > const & phaseFraction, - arraySlice2d< real64, USD3 > const & phaseCompFraction ) const - { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature ); - // TODO: Constant values for now. To be linked with the static function call - phaseFraction[m_liquidIndex] = 0.5; - phaseFraction[m_vapourIndex] = 0.5; - for( integer ic = 0; ic < m_numComponents; ++ic ) - { - phaseCompFraction[m_liquidIndex][ic] = compFraction[ic]; - phaseCompFraction[m_vapourIndex][ic] = compFraction[ic]; - } - } - - template< int USD1 > + 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 { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature ); - - // TODO: Constant values for now. To be linked with the static function call - phaseFraction.value[m_liquidIndex] = 0.5; - phaseFraction.value[m_vapourIndex] = 0.5; - for( integer ic = 0; ic < m_numComponents; ++ic ) + integer const numDofs = 2 + m_numComponents; + + // Iterative solve to converge flash + bool const flashStatus = NegativeTwoPhaseFlash::compute< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >( + m_numComponents, + pressure, + temperature, + compFraction, + componentProperties, + kValues, + phaseFraction.value[m_vapourIndex], + phaseCompFraction.value[m_liquidIndex], + phaseCompFraction.value[m_vapourIndex] ); + GEOS_UNUSED_VAR( flashStatus ); + //GEOS_ERROR_IF( !flashStatus, + // GEOS_FMT( "Negative two phase flash failed to converge {:.5e} {:.3f}", pressure, temperature )); + + // Calculate derivatives + NegativeTwoPhaseFlash::computeDerivatives< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >( + m_numComponents, + pressure, + temperature, + compFraction, + componentProperties, + phaseFraction.value[m_vapourIndex], + phaseCompFraction.value[m_liquidIndex].toSliceConst(), + phaseCompFraction.value[m_vapourIndex].toSliceConst(), + phaseFraction.derivs[m_vapourIndex], + phaseCompFraction.derivs[m_liquidIndex], + phaseCompFraction.derivs[m_vapourIndex] ); + + // Complete by calculating liquid phase fraction + phaseFraction.value[m_liquidIndex] = 1.0 - phaseFraction.value[m_vapourIndex]; + for( integer ic = 0; ic < numDofs; ic++ ) { - phaseCompFraction.value[m_liquidIndex][ic] = compFraction[ic]; - phaseCompFraction.value[m_vapourIndex][ic] = compFraction[ic]; + phaseFraction.derivs[m_liquidIndex][ic] = -phaseFraction.derivs[m_vapourIndex][ic]; } - - LvArray::forValuesInSlice( phaseFraction.derivs, setZero ); - LvArray::forValuesInSlice( phaseCompFraction.derivs, setZero ); } private: diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp index 00eae8f5948..46ed03f89b9 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp @@ -35,18 +35,6 @@ class NullModelUpdate final : public FunctionBaseUpdate public: NullModelUpdate() = default; - template< int USD1 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - real64 & value, - bool useMass ) const - { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, phaseComposition, value, useMass ); - } - template< int USD1, int USD2, int USD3 > GEOS_HOST_DEVICE void compute( ComponentProperties::KernelWrapper const & componentProperties, diff --git a/src/coreComponents/constitutive/unitTests/CMakeLists.txt b/src/coreComponents/constitutive/unitTests/CMakeLists.txt index add6c460a3f..10625ef6df4 100644 --- a/src/coreComponents/constitutive/unitTests/CMakeLists.txt +++ b/src/coreComponents/constitutive/unitTests/CMakeLists.txt @@ -1,12 +1,15 @@ # Specify list of tests set( gtest_geosx_tests + testCompositionalDensity.cpp testCompositionalProperties.cpp testDamageUtilities.cpp testDruckerPrager.cpp testElasticIsotropic.cpp testKValueInitialization.cpp + testLohrenzBrayClarkViscosity.cpp testModifiedCamClay.cpp testNegativeTwoPhaseFlash.cpp + testNegativeTwoPhaseFlash9Comp.cpp testParticleFluidEnums.cpp testPropertyConversions.cpp testCubicEOS.cpp diff --git a/src/coreComponents/constitutive/unitTests/TestFluid.hpp b/src/coreComponents/constitutive/unitTests/TestFluid.hpp index e9f2f1fbf76..c0d8cbb2d1c 100644 --- a/src/coreComponents/constitutive/unitTests/TestFluid.hpp +++ b/src/coreComponents/constitutive/unitTests/TestFluid.hpp @@ -44,12 +44,12 @@ struct Fluid static constexpr integer C8 = 9; static constexpr integer C10 = 10; - static constexpr integer Pc = 0; - static constexpr integer Tc = 1; - static constexpr integer Vc = 2; - static constexpr integer Ac = 3; - static constexpr integer Mw = 4; - static constexpr integer Vs = 5; + static constexpr integer Pc = 0; // Critical pressure + static constexpr integer Tc = 1; // Critical temperature + static constexpr integer Vc = 2; // Critical colume + static constexpr integer Ac = 3; // Accentric factor + static constexpr integer Mw = 4; // Molecular weight + static constexpr integer Vs = 5; // Volume shift static std::array< real64, 66 > data; }; @@ -66,6 +66,10 @@ class TestFluid static std::unique_ptr< TestFluid< NC > > create( std::array< integer, NC > const & components ) { std::unique_ptr< TestFluid< NC > > testFluid( new TestFluid() ); + for( integer ic = 0; ic < NC; ++ic ) + { + testFluid->componentNames.emplace_back( GEOS_FMT( "COMP{}", ic+1 )); + } createArray( testFluid->criticalPressure, components, Fluid::Pc, Fluid::data ); createArray( testFluid->criticalTemperature, components, Fluid::Tc, Fluid::data ); createArray( testFluid->criticalVolume, components, Fluid::Vc, Fluid::data ); @@ -76,21 +80,48 @@ class TestFluid return testFluid; } - constitutive::compositional::ComponentProperties::KernelWrapper createKernelWrapper() const + template< typename LIST > + void setBinaryCoefficients( LIST const & bics ) { - return constitutive::compositional::ComponentProperties::KernelWrapper( - molecularWeight, - criticalPressure, - criticalTemperature, - criticalVolume, - acentricFactor, - volumeShift, - binaryCoeff ); + auto bic = bics.begin(); + for( int i = 0; i < NC; ++i ) + { + for( int j = 0; j < i; ++j ) + { + binaryCoeff( i, j ) = *bic++; + binaryCoeff( j, i ) = binaryCoeff( i, j ); + } + binaryCoeff( i, i ) = 0.0; + } + } + + constitutive::compositional::ComponentProperties & getComponentProperties() + { + if( !m_component_properties ) + { + m_component_properties = std::make_unique< constitutive::compositional::ComponentProperties >( + componentNames, + molecularWeight, + criticalPressure, + criticalTemperature, + criticalVolume, + acentricFactor, + volumeShift, + binaryCoeff ); + } + return *m_component_properties; + } + + constitutive::compositional::ComponentProperties::KernelWrapper createKernelWrapper() + { + return getComponentProperties().createKernelWrapper(); } private: TestFluid() = default; +public: + string_array componentNames; array1d< real64 > criticalPressure; array1d< real64 > criticalTemperature; array1d< real64 > criticalVolume; @@ -99,6 +130,9 @@ class TestFluid array1d< real64 > volumeShift; array2d< real64 > binaryCoeff; +private: + std::unique_ptr< constitutive::compositional::ComponentProperties > m_component_properties{}; + private: template< typename ARRAY, typename LIST, typename DATAARRAY > static void createArray( ARRAY & array, LIST const & indices, integer const row, DATAARRAY const & data ) @@ -117,6 +151,15 @@ class TestFluid array.emplace_back( value ); } } + template< typename ARRAY, typename LIST > + static void populateArray( ARRAY & array, LIST const & data ) + { + integer i = 0; + for( auto const value : data ) + { + array[i++] = value; + } + } }; std::array< real64, 66 > Fluid::data = { @@ -133,8 +176,8 @@ std::array< real64, 66 > Fluid::data = { 3.4400e-01, 2.3900e-01, 4.0000e-02, 9.4200e-02, -2.1900e-01, 9.9500e-02, 1.5230e-01, 1.8440e-01, 1.1400e-02, 4.4300e-01, 8.1600e-01, // -- Mw - 1.8015e+01, 4.4010e+01, 2.8013e+01, 3.4100e+01, 1.6043e+01, 3.0070e+01, - 4.4097e+01, 5.8124e+01, 7.2151e+01, 1.1423e+02, 1.4228e+02, + 1.8015e-02, 4.4010e-02, 2.8013e-02, 3.4100e-02, 1.6043e-02, 3.0070e-02, + 4.4097e-02, 5.8124e-02, 7.2151e-02, 1.1423e-01, 1.4228e-01, // -- Vs 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, diff --git a/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp b/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp index ec2cea463ca..c608334e028 100644 --- a/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp +++ b/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp @@ -59,6 +59,59 @@ void testNumericalDerivative( real64 const x, real64 const dx, real64 const deri checkRelativeError( derivative, rightDerivative, relTolerance, absTolerance, "Right derivative" ); } +/** + * @brief Tests a multi-valued function against a derivative + * @details Will calculate the left-sided and the right-sided numerical derivatives of a function + * and compare this against a analytically calculated values provided. + * @tparam numValues the number of values that the function returns + * @tparam FUNCTION the type of function (typically a lambda) + * @param x The value at which the function should be evaluated + * @param dx The value to use to perturb @c x in the calculation of the numerical derivatives + * @param derivatives The values of the analytically calculated derivatives to use for comparison + * @param function The function which is being tested. This should be a function that takes 2 parameters. + * The first is the value at which the function is being evaluated (x) and the second is an array + * of size @c numValues which is the result of the execution of the function. + * @param absTolerance The absolute tolerance to use for the comparison + * @param relTolerance The relative tolerance to use for the comparison + */ +template< integer numValues, typename FUNCTION > +void testNumericalDerivative( real64 const x, + real64 const dx, + arraySlice1d< real64 const > const & derivatives, + FUNCTION && function, + real64 const absTolerance = absTol, + real64 const relTolerance = relTol ) +{ + stackArray1d< real64, numValues > leftValues( numValues ); + stackArray1d< real64, numValues > centreValues( numValues ); + stackArray1d< real64, numValues > rightValues( numValues ); + function( x-dx, leftValues ); + function( x, centreValues ); + function( x+dx, rightValues ); + + // Use the same space to calculate the left-sided and right sided derivatives + for( integer i = 0; i < numValues; ++i ) + { + // Choose from the left, central and right derivatives, the one that's nearest the analytical value + real64 minError = LvArray::NumericLimits< real64 >::max; + real64 selectedDerivative = 0.0; + for( real64 const distance : {centreValues[i] - leftValues[i], + rightValues[i] - centreValues[i], + 0.5*(rightValues[i] - leftValues[i])} ) + { + real64 const deriv = distance / dx; + real64 const error = LvArray::math::abs( deriv - derivatives[i] ); + if( error < minError ) + { + minError = error; + selectedDerivative = deriv; + } + } + checkRelativeError( derivatives[i], selectedDerivative, relTolerance, absTolerance, + GEOS_FMT( "Numerical derivative for component {}", i ) ); + } +} + }// namespace internal }// namespace testing diff --git a/src/coreComponents/constitutive/unitTests/testCompositionalDensity.cpp b/src/coreComponents/constitutive/unitTests/testCompositionalDensity.cpp new file mode 100644 index 00000000000..08cfdf720c9 --- /dev/null +++ b/src/coreComponents/constitutive/unitTests/testCompositionalDensity.cpp @@ -0,0 +1,256 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +// Source includes +#include "codingUtilities/UnitTestUtilities.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp" +#include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" + +using namespace geos::constitutive::compositional; + +namespace geos +{ +namespace testing +{ + +template< int NC > +using DensityData = std::tuple< + real64 const, // pressure + real64 const, // temperature + Feed< NC > const, // phase composition + real64 const, // expected molar density + real64 const // expected mass density + >; + +template< int NC > +struct FluidData {}; + +template<> +struct FluidData< 9 > +{ + static std::unique_ptr< TestFluid< 9 > > createFluid() + { + auto fluid = TestFluid< 9 >::create( {Fluid::H2O, Fluid::CO2, Fluid::N2, Fluid::C5, Fluid::C2, Fluid::C3, Fluid::C4, Fluid::C5, Fluid::C10} ); + const std::array< real64 const, 36 > bics = { + 0.01, 0, 0.003732, 0, 0.01, 0, 0, 0.01, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0.01, 0, 0.028, 0.01, 0.01, 0, 0, 0.01, 0, 0.04532, 0.01, 0.01, 0, 0, 0 + }; + fluid->setBinaryCoefficients( bics ); + return fluid; + } +}; + +template< int NC, typename EOS_TYPE > +class CompositionalDensityTestFixture : public ::testing::TestWithParam< DensityData< NC > > +{ + static constexpr real64 relTol = 1.0e-5; + static constexpr real64 absTol = 1.0e-7; + static constexpr int numComps = NC; + static constexpr int numDofs = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; +public: + CompositionalDensityTestFixture() + : m_fluid( FluidData< NC >::createFluid() ) + { + ComponentProperties const & componentProperties = this->m_fluid->getComponentProperties(); + m_density = std::make_unique< CompositionalDensity< EOS_TYPE > >( "PhaseDensity", componentProperties ); + } + + ~CompositionalDensityTestFixture() = default; + + void testDensityValues( DensityData< NC > const & data ) + { + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 2 >( data )); + real64 const expectedMolarDensity = std::get< 3 >( data ); + real64 const expectedMassDensity = std::get< 4 >( data ); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto kernelWrapper = this->m_density->createKernelWrapper(); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + + kernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + tempDerivs.toSlice(), + massDensity, + tempDerivs.toSlice(), + false ); + + checkRelativeError( molarDensity, expectedMolarDensity, relTol, absTol ); + checkRelativeError( massDensity, expectedMassDensity, relTol, absTol ); + } + + void testDensityDerivatives( DensityData< NC > const & data ) + { + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 2 >( data )); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto kernelWrapper = m_density->createKernelWrapper(); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + stackArray1d< real64, numDofs > molarDensityDerivs( numDofs ); + stackArray1d< real64, numDofs > massDensityDerivs( numDofs ); + + kernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + molarDensityDerivs.toSlice(), + massDensity, + massDensityDerivs.toSlice(), + false ); + + auto calculateDensity = [&]( real64 const p, real64 const t, auto const & zmf ) -> std::pair< real64, real64 > { + real64 densityMolar = 0.0; + real64 densityMass = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + kernelWrapper.compute( componentProperties, p, t, + zmf.toSliceConst(), + densityMolar, + tempDerivs.toSlice(), + densityMass, + tempDerivs.toSlice(), + false ); + return {densityMolar, densityMass}; + }; + + // Compare against numerical derivatives + // -- Pressure derivative + real64 const dp = 1.0e-4 * pressure; + internal::testNumericalDerivative( + pressure, dp, molarDensityDerivs[Deriv::dP], + [&]( real64 const p ) -> real64 { + return calculateDensity( p, temperature, phaseComposition ).first; + } ); + internal::testNumericalDerivative( + pressure, dp, massDensityDerivs[Deriv::dP], + [&]( real64 const p ) -> real64 { + return calculateDensity( p, temperature, phaseComposition ).second; + } ); + + // -- Temperature derivative + real64 const dT = 1.0e-6 * temperature; + internal::testNumericalDerivative( + temperature, dT, molarDensityDerivs[Deriv::dT], + [&]( real64 const t ) -> real64 { + return calculateDensity( pressure, t, phaseComposition ).first; + } ); + internal::testNumericalDerivative( + temperature, dT, massDensityDerivs[Deriv::dT], + [&]( real64 const t ) -> real64 { + return calculateDensity( pressure, t, phaseComposition ).second; + } ); + + // -- Composition derivatives derivative + real64 const dz = 1.0e-7; + for( integer ic = 0; ic < numComps; ++ic ) + { + internal::testNumericalDerivative( + 0.0, dz, molarDensityDerivs[Deriv::dC + ic], + [&]( real64 const z ) -> real64 { + stackArray1d< real64, numComps > zmf( numComps ); + for( integer jc = 0; jc < numComps; ++jc ) + { + zmf[jc] = phaseComposition[jc]; + } + zmf[ic] += z; + return calculateDensity( pressure, temperature, zmf ).first; + } ); + internal::testNumericalDerivative( + 0.0, dz, massDensityDerivs[Deriv::dC + ic], + [&]( real64 const z ) -> real64 { + stackArray1d< real64, numComps > zmf( numComps ); + for( integer jc = 0; jc < numComps; ++jc ) + { + zmf[jc] = phaseComposition[jc]; + } + zmf[ic] += z; + return calculateDensity( pressure, temperature, zmf ).second; + } ); + } + } + +protected: + std::unique_ptr< CompositionalDensity< EOS_TYPE > > m_density{}; + std::unique_ptr< TestFluid< NC > > m_fluid{}; +}; + +using CompositionalDensity9CompPR = CompositionalDensityTestFixture< 9, CubicEOSPhaseModel< PengRobinsonEOS > >; +using CompositionalDensity9CompSRK = CompositionalDensityTestFixture< 9, CubicEOSPhaseModel< SoaveRedlichKwongEOS > >; + +TEST_P( CompositionalDensity9CompPR, testDensityDerivatives ) +{ + testDensityDerivatives( GetParam() ); +} + +TEST_P( CompositionalDensity9CompSRK, testDensityDerivatives ) +{ + testDensityDerivatives( GetParam() ); +} + +INSTANTIATE_TEST_SUITE_P( + CompositionalDensityTest, + CompositionalDensity9CompPR, + ::testing::ValuesIn( { + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 8.355571e+03, 4.559906e+02 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 7.703898e+02, 2.691914e+01 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 8.337694e+03, 4.567935e+02 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 9.073321e+02, 4.951606e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 6.178234e+02, 2.158813e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.197865e+02, 5.039192e+01 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.095078e+04, 5.976195e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.480270e+04, 8.666618e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.087917e+04, 5.960323e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.065128e+04, 5.812747e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.305823e+04, 8.057060e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.058381e+04, 5.798506e+02 } + } ) + ); +INSTANTIATE_TEST_SUITE_P( + CompositionalDensityTest, + CompositionalDensity9CompSRK, + ::testing::ValuesIn( { + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 7.433979e+03, 4.056963e+02 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 7.629968e+02, 2.666082e+01 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 7.416959e+03, 4.063495e+02 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 8.919848e+02, 4.867851e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 6.133569e+02, 2.143206e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.045641e+02, 4.955794e+01 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 9.868675e+03, 5.385656e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.257420e+04, 7.887929e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.803814e+03, 5.371171e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 9.615674e+03, 5.247585e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.109248e+04, 7.370183e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.554300e+03, 5.234471e+02 } + } ) + ); + +} // testing + +} // geos diff --git a/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp b/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp index c41428ed2da..320e1a4b085 100644 --- a/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp +++ b/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp @@ -51,6 +51,8 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar { public: static constexpr integer numComps = NC; + static constexpr integer numDof = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: CompositionalPropertiesTestDataTestFixture() : m_fluid( createFluid< NC >() ) @@ -65,7 +67,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar real64 const molarDensity = computeMolarDensity( pressure, temperature, - composition ); + composition.toSliceConst() ); checkRelativeError( molarDensity, expectedMolarDensity, internal::relTol, internal::absTol ); } @@ -76,23 +78,19 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar const auto [pressure, temperature, composition] = getInputData( data ); real64 molarDensity = 0.0; - real64 dMolarDensity_dp = 0.0; - real64 dMolarDensity_dt = 0.0; - array1d< real64 > dMolarDensity_dz( numComps ); + stackArray1d< real64, numDof > molarDensityDerivs( numDof ); computeMolarDensity( pressure, temperature, - composition, + composition.toSliceConst(), molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz ); + molarDensityDerivs.toSlice() ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; internal::testNumericalDerivative( - pressure, dp, dMolarDensity_dp, + pressure, dp, molarDensityDerivs[Deriv::dP], [this, & t=temperature, & zmf=composition]( real64 const p ) -> real64 { return computeMolarDensity( p, t, zmf ); } ); @@ -100,7 +98,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; internal::testNumericalDerivative( - temperature, dT, dMolarDensity_dt, + temperature, dT, molarDensityDerivs[Deriv::dT], [this, & p=pressure, & zmf=composition]( real64 const t ) -> real64 { return computeMolarDensity( p, t, zmf ); } ); @@ -110,7 +108,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar for( integer ic = 0; ic < numComps; ++ic ) { internal::testNumericalDerivative( - 0.0, dz, dMolarDensity_dz[ic], + 0.0, dz, molarDensityDerivs[Deriv::dC + ic], [this, & p=pressure, & t=temperature, zmf=composition, ic]( real64 const z ) -> real64 { zmf[ic] += z; real64 const density = computeMolarDensity( p, t, zmf ); @@ -139,23 +137,19 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar const auto [pressure, temperature, composition] = getInputData( data ); real64 massDensity = 0.0; - real64 dMassDensity_dp = 0.0; - real64 dMassDensity_dt = 0.0; - array1d< real64 > dMassDensity_dz( numComps ); + array1d< real64 > massDensityDerivs( numDof ); computeMassDensity( pressure, temperature, composition, massDensity, - dMassDensity_dp, - dMassDensity_dt, - dMassDensity_dz ); + massDensityDerivs ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; internal::testNumericalDerivative( - pressure, dp, dMassDensity_dp, + pressure, dp, massDensityDerivs[Deriv::dP], [this, & t=temperature, & zmf=composition]( real64 const p ) -> real64 { return computeMassDensity( p, t, zmf ); } ); @@ -163,7 +157,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; internal::testNumericalDerivative( - temperature, dT, dMassDensity_dt, + temperature, dT, massDensityDerivs[Deriv::dT], [this, & p=pressure, & zmf=composition]( real64 const t ) -> real64 { return computeMassDensity( p, t, zmf ); } ); @@ -173,11 +167,12 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar for( integer ic = 0; ic < numComps; ++ic ) { internal::testNumericalDerivative( - 0.0, dz, dMassDensity_dz[ic], + 0.0, dz, massDensityDerivs[Deriv::dC + ic], [this, & p=pressure, & t=temperature, & zmf=composition, ic]( real64 const z ) -> real64 { + real64 const z0 = zmf[ic]; zmf[ic] += z; real64 const density = computeMassDensity( p, t, zmf ); - zmf[ic] -= z; + zmf[ic] = z0; return density; } ); } @@ -195,64 +190,26 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar } real64 computeMolarDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition ) const + arraySlice1d< real64 const > const & composition ) const { - auto const componentProperties = this->m_fluid->createKernelWrapper(); - auto const binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; - auto const volumeShift = componentProperties.m_componentVolumeShift; - - real64 compressibilityFactor = 0.0; real64 molarDensity = 0.0; - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); - real64 aMixtureCoefficient = 0.0; - real64 bMixtureCoefficient = 0.0; - - CubicEOSPhaseModel< EOS_TYPE >:: - computeMixtureCoefficients( numComps, - pressure, - temperature, - composition, - componentProperties, - aPureCoefficient, - bPureCoefficient, - aMixtureCoefficient, - bMixtureCoefficient ); - - CubicEOSPhaseModel< EOS_TYPE >:: - computeCompressibilityFactor( numComps, - composition, - binaryInteractionCoefficients, - aPureCoefficient, - bPureCoefficient, - aMixtureCoefficient, - bMixtureCoefficient, - compressibilityFactor ); - - CompositionalProperties::computeMolarDensity( numComps, - pressure, - temperature, - composition, - volumeShift, - compressibilityFactor, - molarDensity ); + stackArray1d< real64, numDof > molarDensityDerivs( numDof ); + computeMolarDensity( pressure, temperature, composition, molarDensity, molarDensityDerivs.toSlice() ); return molarDensity; } void computeMolarDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition, + arraySlice1d< real64 const > const & composition, real64 & molarDensity, - real64 & dMolarDensity_dp, - real64 & dMolarDensity_dt, - arraySlice1d< real64 > const dMolarDensity_dz ) const + arraySlice1d< real64 > const molarDensityDerivs ) const { auto const componentProperties = this->m_fluid->createKernelWrapper(); auto const binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; auto const volumeShift = componentProperties.m_componentVolumeShift; real64 compressibilityFactor = 0.0; - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); + stackArray1d< real64, numComps > aPureCoefficient( numComps ); + stackArray1d< real64, numComps > bPureCoefficient( numComps ); real64 aMixtureCoefficient = 0.0; real64 bMixtureCoefficient = 0.0; @@ -262,17 +219,13 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar temperature, composition, componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), aMixtureCoefficient, bMixtureCoefficient ); - real64 daMixtureCoefficient_dp = 0.0; - real64 dbMixtureCoefficient_dp = 0.0; - real64 daMixtureCoefficient_dt = 0.0; - real64 dbMixtureCoefficient_dt = 0.0; - array1d< real64 > daMixtureCoefficient_dz( numComps ); - array1d< real64 > dbMixtureCoefficient_dz( numComps ); + stackArray1d< real64, numDof > aMixtureCoefficientDerivs( numDof ); + stackArray1d< real64, numDof > bMixtureCoefficientDerivs( numDof ); CubicEOSPhaseModel< EOS_TYPE >:: computeMixtureCoefficients( numComps, @@ -280,54 +233,33 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar temperature, composition, componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz ); + aMixtureCoefficientDerivs.toSlice(), + bMixtureCoefficientDerivs.toSlice() ); CubicEOSPhaseModel< EOS_TYPE >:: computeCompressibilityFactor( numComps, composition, binaryInteractionCoefficients, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, compressibilityFactor ); - real64 dCompressibilityFactor_dp = 0.0; - real64 dCompressibilityFactor_dt = 0.0; - array1d< real64 > dCompressibilityFactor_dz( numComps ); + stackArray1d< real64, numDof > compressibilityFactorDerivs( numDof ); CubicEOSPhaseModel< EOS_TYPE >:: computeCompressibilityFactor( numComps, aMixtureCoefficient, bMixtureCoefficient, compressibilityFactor, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz, - dCompressibilityFactor_dp, - dCompressibilityFactor_dt, - dCompressibilityFactor_dz ); - - CompositionalProperties:: - computeMolarDensity( numComps, - pressure, - temperature, - composition, - volumeShift, - compressibilityFactor, - molarDensity ); + aMixtureCoefficientDerivs.toSliceConst(), + bMixtureCoefficientDerivs.toSliceConst(), + compressibilityFactorDerivs.toSlice() ); CompositionalProperties:: computeMolarDensity( numComps, @@ -336,66 +268,44 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar composition, volumeShift, compressibilityFactor, - dCompressibilityFactor_dp, - dCompressibilityFactor_dt, - dCompressibilityFactor_dz, + compressibilityFactorDerivs.toSliceConst(), molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz ); + molarDensityDerivs ); } real64 computeMassDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition ) const + arraySlice1d< real64 const > const & composition ) const { - auto const componentProperties = this->m_fluid->createKernelWrapper(); - auto const molecularWeight = componentProperties.m_componentMolarWeight; - - real64 const molarDensity = computeMolarDensity( pressure, temperature, composition ); real64 massDensity = 0.0; - CompositionalProperties:: - computeMassDensity( numComps, - composition, - molecularWeight, - molarDensity, - massDensity ); + stackArray1d< real64, numDof > massDensityDerivs( numDof ); + computeMassDensity( pressure, temperature, composition, massDensity, massDensityDerivs.toSlice() ); return massDensity; } void computeMassDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition, + arraySlice1d< real64 const > const & composition, real64 & massDensity, - real64 & dMassDensity_dp, - real64 & dMassDensity_dt, - arraySlice1d< real64 > const dMassDensity_dz ) const + arraySlice1d< real64 > const massDensityDerivs ) const { auto const componentProperties = this->m_fluid->createKernelWrapper(); auto const molecularWeight = componentProperties.m_componentMolarWeight; - massDensity = computeMassDensity( pressure, temperature, composition ); - real64 molarDensity = 0.0; - real64 dMolarDensity_dp = 0.0; - real64 dMolarDensity_dt = 0.0; - array1d< real64 > dMolarDensity_dz( numComps ); + stackArray1d< real64, numDof > molarDensityDerivs( numDof ); + computeMolarDensity( pressure, temperature, composition, molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz ); + molarDensityDerivs.toSlice() ); CompositionalProperties:: computeMassDensity( numComps, + composition, molecularWeight, molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz, + molarDensityDerivs.toSliceConst(), massDensity, - dMassDensity_dp, - dMassDensity_dt, - dMassDensity_dz ); + massDensityDerivs ); } protected: @@ -430,72 +340,72 @@ template<> std::vector< CompositionalPropertiesTestData< 4 > > generateTestData< PengRobinsonEOS, 4 >() { return { - { 1.000000e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733061e+03, 1.271768e+02, 4.747588e+05 }, - { 1.000000e+05, 2.771500e+02, { 0.000652, 0.128231, 0.128281, 0.742836 }, 1.119134e+04, 4.630013e+01, 5.181608e+05 }, - { 1.000000e+05, 2.771500e+02, { 0.855328, 0.000205, 0.000000, 0.144467 }, 4.348717e+01, 2.658628e+01, 1.156162e+03 }, - { 1.000000e+05, 2.886500e+02, { 0.000507, 0.112984, 0.113029, 0.773480 }, 1.214893e+04, 4.293636e+01, 5.216311e+05 }, - { 1.000000e+05, 2.886500e+02, { 0.777870, 0.000520, 0.000000, 0.221610 }, 4.177763e+01, 2.584219e+01, 1.079625e+03 }, - { 1.000000e+05, 2.886500e+02, { 0.985235, 0.000000, 0.000000, 0.014765 }, 4.169466e+01, 2.786538e+01, 1.161838e+03 }, - { 1.000000e+05, 2.981500e+02, { 0.653033, 0.000901, 0.000000, 0.346066 }, 4.049414e+01, 2.463074e+01, 9.974005e+02 }, - { 1.000000e+05, 2.981500e+02, { 0.000506, 0.143046, 0.143326, 0.713122 }, 1.013248e+04, 4.959370e+01, 5.025071e+05 }, - { 1.000000e+05, 2.981500e+02, { 0.582848, 0.000748, 0.000000, 0.416404 }, 4.053125e+01, 2.391430e+01, 9.692764e+02 }, - { 1.000000e+05, 2.981500e+02, { 0.972848, 0.000000, 0.000000, 0.027152 }, 4.036515e+01, 2.774153e+01, 1.119791e+03 }, - { 1.000000e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045691 }, 3.754190e+03, 1.232183e+02, 4.625850e+05 }, - { 1.000000e+05, 3.331500e+02, { 0.210877, 0.008984, 0.000001, 0.780137 }, 3.640845e+01, 2.098792e+01, 7.641376e+02 }, - { 1.000000e+05, 3.331500e+02, { 0.818043, 0.000000, 0.000000, 0.181957 }, 3.614852e+01, 2.619379e+01, 9.468669e+02 }, - { 1.000000e+05, 3.721500e+02, { 0.000000, 0.104818, 0.104822, 0.790360 }, 3.312721e+01, 4.112577e+01, 1.362382e+03 }, - { 1.000000e+05, 3.721500e+02, { 0.000117, 0.356347, 0.549688, 0.093848 }, 3.581375e+03, 1.206090e+02, 4.319462e+05 }, - { 1.013250e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733064e+03, 1.271768e+02, 4.747592e+05 }, - { 1.013250e+05, 2.886500e+02, { 0.000516, 0.112950, 0.112994, 0.773540 }, 1.215157e+04, 4.292888e+01, 5.216533e+05 }, - { 1.013250e+05, 2.886500e+02, { 0.780815, 0.000514, 0.000000, 0.218672 }, 4.233123e+01, 2.587101e+01, 1.095152e+03 }, - { 1.013250e+05, 2.886500e+02, { 0.000599, 0.132633, 0.132752, 0.734016 }, 1.081051e+04, 4.727865e+01, 5.111063e+05 }, - { 1.013250e+05, 2.886500e+02, { 0.743752, 0.000426, 0.000000, 0.255823 }, 4.234963e+01, 2.549200e+01, 1.079576e+03 }, - { 1.013250e+05, 2.981500e+02, { 0.000448, 0.114592, 0.114680, 0.770280 }, 1.192251e+04, 4.329570e+01, 5.161936e+05 }, - { 1.013250e+05, 2.981500e+02, { 0.657746, 0.000890, 0.000000, 0.341364 }, 4.103031e+01, 2.467683e+01, 1.012498e+03 }, - { 1.013250e+05, 2.981500e+02, { 0.000516, 0.142463, 0.142736, 0.714285 }, 1.016359e+04, 4.946432e+01, 5.027349e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045690 }, 3.754193e+03, 1.232184e+02, 4.625856e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593026e+04, 1.801500e+01, 8.274336e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593025e+04, 1.801500e+01, 8.274336e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.820407, 0.000000, 0.000000, 0.179593 }, 3.662747e+01, 2.621743e+01, 9.602781e+02 }, - { 1.013250e+05, 3.721500e+02, { 0.080408, 0.000000, 0.000000, 0.919592 }, 3.299996e+01, 1.881892e+01, 6.210236e+02 }, - { 5.000000e+06, 2.771500e+02, { 0.000000, 0.495216, 0.495235, 0.009549 }, 3.742134e+03, 1.272026e+02, 4.760091e+05 }, - { 5.000000e+06, 2.771500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.772799e+04, 1.801500e+01, 8.598197e+05 }, - { 5.000000e+06, 2.771500e+02, { 0.029212, 0.107914, 0.107918, 0.754956 }, 1.264269e+04, 4.210047e+01, 5.322630e+05 }, - { 5.000000e+06, 2.886500e+02, { 0.000000, 0.493093, 0.493111, 0.013796 }, 3.739164e+03, 1.267344e+02, 4.738808e+05 }, - { 5.000000e+06, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.739475e+04, 1.801500e+01, 8.538165e+05 }, - { 5.000000e+06, 2.886500e+02, { 0.999549, 0.000000, 0.000000, 0.000451 }, 2.122222e+03, 2.800849e+01, 5.944023e+04 }, - { 5.000000e+06, 2.981500e+02, { 0.000000, 0.490855, 0.490873, 0.018272 }, 3.739300e+03, 1.262410e+02, 4.720529e+05 }, - { 5.000000e+06, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.710908e+04, 1.801500e+01, 8.486701e+05 }, - { 5.000000e+06, 2.981500e+02, { 0.030096, 0.107834, 0.107839, 0.754231 }, 1.241638e+04, 4.209177e+01, 5.226274e+05 }, - { 5.000000e+06, 3.331500e+02, { 0.031858, 0.107709, 0.107720, 0.752713 }, 1.198645e+04, 4.208259e+01, 5.044209e+05 }, - { 5.000000e+06, 3.331500e+02, { 0.964491, 0.000264, 0.000000, 0.035245 }, 1.824920e+03, 2.768343e+01, 5.052004e+04 }, - { 5.000000e+06, 3.331500e+02, { 0.035989, 0.120533, 0.120574, 0.722904 }, 1.106526e+04, 4.495504e+01, 4.974394e+05 }, - { 5.000000e+06, 3.331500e+02, { 0.961874, 0.000247, 0.000000, 0.037879 }, 1.826197e+03, 2.765560e+01, 5.050457e+04 }, - { 5.000000e+06, 3.721500e+02, { 0.037408, 0.121753, 0.121923, 0.718916 }, 1.046451e+04, 4.525417e+01, 4.735627e+05 }, - { 5.000000e+06, 3.721500e+02, { 0.889694, 0.001014, 0.000003, 0.109288 }, 1.643713e+03, 2.700817e+01, 4.439368e+04 }, - { 1.000000e+07, 2.771500e+02, { 0.000004, 0.000000, 0.000000, 0.999996 }, 4.775121e+04, 1.801504e+01, 8.602398e+05 }, - { 1.000000e+07, 2.771500e+02, { 0.999835, 0.000000, 0.000000, 0.000165 }, 4.468580e+03, 2.801135e+01, 1.251710e+05 }, - { 1.000000e+07, 2.886500e+02, { 0.000000, 0.493260, 0.493279, 0.013460 }, 3.748279e+03, 1.267714e+02, 4.751745e+05 }, - { 1.000000e+07, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.742059e+04, 1.801500e+01, 8.542819e+05 }, - { 1.000000e+07, 2.886500e+02, { 0.055934, 0.104932, 0.104936, 0.734198 }, 1.273695e+04, 4.171005e+01, 5.312588e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.000000, 0.491084, 0.491102, 0.017814 }, 3.748930e+03, 1.262914e+02, 4.734578e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.713720e+04, 1.801500e+01, 8.491766e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.056951, 0.104818, 0.104822, 0.733409 }, 1.263544e+04, 4.169517e+01, 5.268366e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.065451, 0.116299, 0.116311, 0.701940 }, 1.172878e+04, 4.431245e+01, 5.197309e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.991760, 0.000074, 0.000000, 0.008166 }, 4.103168e+03, 2.793775e+01, 1.146333e+05 }, - { 1.000000e+07, 3.331500e+02, { 0.000000, 0.478424, 0.478442, 0.043135 }, 3.777896e+03, 1.235001e+02, 4.665706e+05 }, - { 1.000000e+07, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.600669e+04, 1.801500e+01, 8.288105e+05 }, - { 1.000000e+07, 3.331500e+02, { 0.996818, 0.000000, 0.000000, 0.003182 }, 3.589847e+03, 2.798118e+01, 1.004482e+05 }, - { 1.000000e+07, 3.721500e+02, { 0.000000, 0.453197, 0.453215, 0.093588 }, 3.878777e+03, 1.179381e+02, 4.574555e+05 }, - { 1.000000e+08, 2.771500e+02, { 0.000000, 0.496608, 0.496627, 0.006766 }, 3.834889e+03, 1.275094e+02, 4.889844e+05 }, - { 1.000000e+08, 2.886500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.310108e+04, 4.269497e+01, 5.593502e+05 }, - { 1.000000e+08, 2.886500e+02, { 0.000031, 0.000000, 0.000000, 0.999969 }, 4.783830e+04, 1.801531e+01, 8.618217e+05 }, - { 1.000000e+08, 2.886500e+02, { 0.999447, 0.000000, 0.000000, 0.000553 }, 2.330195e+04, 2.800748e+01, 6.526287e+05 }, - { 1.000000e+08, 2.981500e+02, { 0.000000, 0.493623, 0.493642, 0.012735 }, 3.840586e+03, 1.268513e+02, 4.871835e+05 }, - { 1.000000e+08, 3.331500e+02, { 0.010000, 0.000000, 0.000000, 0.990000 }, 4.638822e+04, 1.811498e+01, 8.403216e+05 }, - { 1.000000e+08, 3.721500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.247160e+04, 4.269497e+01, 5.324747e+05 }, - { 1.000000e+08, 3.721500e+02, { 0.000671, 0.000000, 0.000000, 0.999329 }, 4.538427e+04, 1.802171e+01, 8.179019e+05 }, - { 1.000000e+08, 3.721500e+02, { 0.991955, 0.000000, 0.000000, 0.008045 }, 1.979639e+04, 2.793257e+01, 5.529641e+05 } + { 1.000000e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733061e+03, 1.271768e+02, 4.747588e+02 }, + { 1.000000e+05, 2.771500e+02, { 0.000652, 0.128231, 0.128281, 0.742836 }, 1.119134e+04, 4.630013e+01, 5.181608e+02 }, + { 1.000000e+05, 2.771500e+02, { 0.855328, 0.000205, 0.000000, 0.144467 }, 4.348717e+01, 2.658628e+01, 1.156162e+00 }, + { 1.000000e+05, 2.886500e+02, { 0.000507, 0.112984, 0.113029, 0.773480 }, 1.214893e+04, 4.293636e+01, 5.216311e+02 }, + { 1.000000e+05, 2.886500e+02, { 0.777870, 0.000520, 0.000000, 0.221610 }, 4.177763e+01, 2.584219e+01, 1.079625e+00 }, + { 1.000000e+05, 2.886500e+02, { 0.985235, 0.000000, 0.000000, 0.014765 }, 4.169466e+01, 2.786538e+01, 1.161838e+00 }, + { 1.000000e+05, 2.981500e+02, { 0.653033, 0.000901, 0.000000, 0.346066 }, 4.049414e+01, 2.463074e+01, 9.974005e-01 }, + { 1.000000e+05, 2.981500e+02, { 0.000506, 0.143046, 0.143326, 0.713122 }, 1.013248e+04, 4.959370e+01, 5.025071e+02 }, + { 1.000000e+05, 2.981500e+02, { 0.582848, 0.000748, 0.000000, 0.416404 }, 4.053125e+01, 2.391430e+01, 9.692764e-01 }, + { 1.000000e+05, 2.981500e+02, { 0.972848, 0.000000, 0.000000, 0.027152 }, 4.036515e+01, 2.774153e+01, 1.119791e+00 }, + { 1.000000e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045691 }, 3.754190e+03, 1.232183e+02, 4.625850e+02 }, + { 1.000000e+05, 3.331500e+02, { 0.210877, 0.008984, 0.000001, 0.780137 }, 3.640845e+01, 2.098792e+01, 7.641376e-01 }, + { 1.000000e+05, 3.331500e+02, { 0.818043, 0.000000, 0.000000, 0.181957 }, 3.614852e+01, 2.619379e+01, 9.468669e-01 }, + { 1.000000e+05, 3.721500e+02, { 0.000000, 0.104818, 0.104822, 0.790360 }, 3.312721e+01, 4.112577e+01, 1.362382e+00 }, + { 1.000000e+05, 3.721500e+02, { 0.000117, 0.356347, 0.549688, 0.093848 }, 3.581375e+03, 1.206090e+02, 4.319462e+02 }, + { 1.013250e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733064e+03, 1.271768e+02, 4.747592e+02 }, + { 1.013250e+05, 2.886500e+02, { 0.000516, 0.112950, 0.112994, 0.773540 }, 1.215157e+04, 4.292888e+01, 5.216533e+02 }, + { 1.013250e+05, 2.886500e+02, { 0.780815, 0.000514, 0.000000, 0.218672 }, 4.233123e+01, 2.587101e+01, 1.095152e+00 }, + { 1.013250e+05, 2.886500e+02, { 0.000599, 0.132633, 0.132752, 0.734016 }, 1.081051e+04, 4.727865e+01, 5.111063e+02 }, + { 1.013250e+05, 2.886500e+02, { 0.743752, 0.000426, 0.000000, 0.255823 }, 4.234963e+01, 2.549200e+01, 1.079576e+00 }, + { 1.013250e+05, 2.981500e+02, { 0.000448, 0.114592, 0.114680, 0.770280 }, 1.192251e+04, 4.329570e+01, 5.161936e+02 }, + { 1.013250e+05, 2.981500e+02, { 0.657746, 0.000890, 0.000000, 0.341364 }, 4.103031e+01, 2.467683e+01, 1.012498e+00 }, + { 1.013250e+05, 2.981500e+02, { 0.000516, 0.142463, 0.142736, 0.714285 }, 1.016359e+04, 4.946432e+01, 5.027349e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045690 }, 3.754193e+03, 1.232184e+02, 4.625856e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593026e+04, 1.801500e+01, 8.274336e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593025e+04, 1.801500e+01, 8.274336e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.820407, 0.000000, 0.000000, 0.179593 }, 3.662747e+01, 2.621743e+01, 9.602781e-01 }, + { 1.013250e+05, 3.721500e+02, { 0.080408, 0.000000, 0.000000, 0.919592 }, 3.299996e+01, 1.881892e+01, 6.210236e-01 }, + { 5.000000e+06, 2.771500e+02, { 0.000000, 0.495216, 0.495235, 0.009549 }, 3.742134e+03, 1.272026e+02, 4.760091e+02 }, + { 5.000000e+06, 2.771500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.772799e+04, 1.801500e+01, 8.598197e+02 }, + { 5.000000e+06, 2.771500e+02, { 0.029212, 0.107914, 0.107918, 0.754956 }, 1.264269e+04, 4.210047e+01, 5.322630e+02 }, + { 5.000000e+06, 2.886500e+02, { 0.000000, 0.493093, 0.493111, 0.013796 }, 3.739164e+03, 1.267344e+02, 4.738808e+02 }, + { 5.000000e+06, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.739475e+04, 1.801500e+01, 8.538165e+02 }, + { 5.000000e+06, 2.886500e+02, { 0.999549, 0.000000, 0.000000, 0.000451 }, 2.122222e+03, 2.800849e+01, 5.944023e+01 }, + { 5.000000e+06, 2.981500e+02, { 0.000000, 0.490855, 0.490873, 0.018272 }, 3.739300e+03, 1.262410e+02, 4.720529e+02 }, + { 5.000000e+06, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.710908e+04, 1.801500e+01, 8.486701e+02 }, + { 5.000000e+06, 2.981500e+02, { 0.030096, 0.107834, 0.107839, 0.754231 }, 1.241638e+04, 4.209177e+01, 5.226274e+02 }, + { 5.000000e+06, 3.331500e+02, { 0.031858, 0.107709, 0.107720, 0.752713 }, 1.198645e+04, 4.208259e+01, 5.044209e+02 }, + { 5.000000e+06, 3.331500e+02, { 0.964491, 0.000264, 0.000000, 0.035245 }, 1.824920e+03, 2.768343e+01, 5.052004e+01 }, + { 5.000000e+06, 3.331500e+02, { 0.035989, 0.120533, 0.120574, 0.722904 }, 1.106526e+04, 4.495504e+01, 4.974394e+02 }, + { 5.000000e+06, 3.331500e+02, { 0.961874, 0.000247, 0.000000, 0.037879 }, 1.826197e+03, 2.765560e+01, 5.050457e+01 }, + { 5.000000e+06, 3.721500e+02, { 0.037408, 0.121753, 0.121923, 0.718916 }, 1.046451e+04, 4.525417e+01, 4.735627e+02 }, + { 5.000000e+06, 3.721500e+02, { 0.889694, 0.001014, 0.000003, 0.109288 }, 1.643713e+03, 2.700817e+01, 4.439368e+01 }, + { 1.000000e+07, 2.771500e+02, { 0.000004, 0.000000, 0.000000, 0.999996 }, 4.775121e+04, 1.801504e+01, 8.602398e+02 }, + { 1.000000e+07, 2.771500e+02, { 0.999835, 0.000000, 0.000000, 0.000165 }, 4.468580e+03, 2.801135e+01, 1.251710e+02 }, + { 1.000000e+07, 2.886500e+02, { 0.000000, 0.493260, 0.493279, 0.013460 }, 3.748279e+03, 1.267714e+02, 4.751745e+02 }, + { 1.000000e+07, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.742059e+04, 1.801500e+01, 8.542819e+02 }, + { 1.000000e+07, 2.886500e+02, { 0.055934, 0.104932, 0.104936, 0.734198 }, 1.273695e+04, 4.171005e+01, 5.312588e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.000000, 0.491084, 0.491102, 0.017814 }, 3.748930e+03, 1.262914e+02, 4.734578e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.713720e+04, 1.801500e+01, 8.491766e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.056951, 0.104818, 0.104822, 0.733409 }, 1.263544e+04, 4.169517e+01, 5.268366e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.065451, 0.116299, 0.116311, 0.701940 }, 1.172878e+04, 4.431245e+01, 5.197309e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.991760, 0.000074, 0.000000, 0.008166 }, 4.103168e+03, 2.793775e+01, 1.146333e+02 }, + { 1.000000e+07, 3.331500e+02, { 0.000000, 0.478424, 0.478442, 0.043135 }, 3.777896e+03, 1.235001e+02, 4.665706e+02 }, + { 1.000000e+07, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.600669e+04, 1.801500e+01, 8.288105e+02 }, + { 1.000000e+07, 3.331500e+02, { 0.996818, 0.000000, 0.000000, 0.003182 }, 3.589847e+03, 2.798118e+01, 1.004482e+02 }, + { 1.000000e+07, 3.721500e+02, { 0.000000, 0.453197, 0.453215, 0.093588 }, 3.878777e+03, 1.179381e+02, 4.574555e+02 }, + { 1.000000e+08, 2.771500e+02, { 0.000000, 0.496608, 0.496627, 0.006766 }, 3.834889e+03, 1.275094e+02, 4.889844e+02 }, + { 1.000000e+08, 2.886500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.310108e+04, 4.269497e+01, 5.593502e+02 }, + { 1.000000e+08, 2.886500e+02, { 0.000031, 0.000000, 0.000000, 0.999969 }, 4.783830e+04, 1.801531e+01, 8.618217e+02 }, + { 1.000000e+08, 2.886500e+02, { 0.999447, 0.000000, 0.000000, 0.000553 }, 2.330195e+04, 2.800748e+01, 6.526287e+02 }, + { 1.000000e+08, 2.981500e+02, { 0.000000, 0.493623, 0.493642, 0.012735 }, 3.840586e+03, 1.268513e+02, 4.871835e+02 }, + { 1.000000e+08, 3.331500e+02, { 0.010000, 0.000000, 0.000000, 0.990000 }, 4.638822e+04, 1.811498e+01, 8.403216e+02 }, + { 1.000000e+08, 3.721500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.247160e+04, 4.269497e+01, 5.324747e+02 }, + { 1.000000e+08, 3.721500e+02, { 0.000671, 0.000000, 0.000000, 0.999329 }, 4.538427e+04, 1.802171e+01, 8.179019e+02 }, + { 1.000000e+08, 3.721500e+02, { 0.991955, 0.000000, 0.000000, 0.008045 }, 1.979639e+04, 2.793257e+01, 5.529641e+02 } }; } diff --git a/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp b/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp index e453e225787..82309e58aec 100644 --- a/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp +++ b/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp @@ -53,9 +53,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -72,9 +72,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -91,9 +91,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -110,9 +110,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -149,9 +149,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsPR ) CubicEOSPhaseModel< PengRobinsonEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -174,9 +174,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsPR ) CubicEOSPhaseModel< PengRobinsonEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -199,9 +199,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsPR ) CubicEOSPhaseModel< PengRobinsonEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -240,9 +240,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -265,9 +265,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -290,15 +290,14 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); checkRelativeError( logFugacityCoefficients[2], expectedLogFugacityCoefficients[2], relTol ); checkRelativeError( logFugacityCoefficients[3], expectedLogFugacityCoefficients[3], relTol ); - } // ----------------------------------------------------------------- @@ -352,6 +351,8 @@ class DerivativeTestFixture : public ::testing::TestWithParam< TestData< NC > > { public: static constexpr integer numComps = NC; + static constexpr integer numDof = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; using ParamType = std::tuple< real64 const, real64 const, Feed< NC > const >; public: DerivativeTestFixture(); @@ -384,23 +385,21 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > { public: using DerivativeTestFixture< EOS, NC >::numComps; + using DerivativeTestFixture< EOS, NC >::numDof; + using Deriv = typename DerivativeTestFixture< EOS, NC >::Deriv; using ParamType = typename DerivativeTestFixture< EOS, NC >::ParamType; public: void testNumericalDerivatives( ParamType const & testData ) const { auto componentProperties = this->m_fluid->createKernelWrapper(); - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); + stackArray1d< real64, numComps > aPureCoefficient( numComps ); + stackArray1d< real64, numComps > bPureCoefficient( numComps ); - real64 daMixtureCoefficient_dp = 0.0; - real64 dbMixtureCoefficient_dp = 0.0; - real64 daMixtureCoefficient_dt = 0.0; - real64 dbMixtureCoefficient_dt = 0.0; - array1d< real64 > daMixtureCoefficient_dz( numComps ); - array1d< real64 > dbMixtureCoefficient_dz( numComps ); + stackArray1d< real64, numDof > aMixtureCoefficientDerivs( numDof ); + stackArray1d< real64, numDof > bMixtureCoefficientDerivs( numDof ); - array1d< real64 > composition; + stackArray1d< real64, numComps > composition; real64 const pressure = std::get< 0 >( testData ); real64 const temperature = std::get< 1 >( testData ); TestFluid< NC >::createArray( composition, std::get< 2 >( testData )); @@ -410,10 +409,10 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > real64 b = 0.0; CubicEOSPhaseModel< EOS >::computeMixtureCoefficients( numComps, - p, t, zmf, + p, t, zmf.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), a, b ); return {a, b}; @@ -427,29 +426,25 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > numComps, pressure, temperature, - composition, + composition.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), aMixtureCoefficient, bMixtureCoefficient, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz ); + aMixtureCoefficientDerivs.toSlice(), + bMixtureCoefficientDerivs.toSlice() ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; geos::testing::internal::testNumericalDerivative( - pressure, dp, daMixtureCoefficient_dp, + pressure, dp, aMixtureCoefficientDerivs[Deriv::dP], [&]( real64 const p ) -> real64 { return computeCoefficients( p, temperature, composition ).first; } ); geos::testing::internal::testNumericalDerivative( - pressure, dp, dbMixtureCoefficient_dp, + pressure, dp, bMixtureCoefficientDerivs[Deriv::dP], [&]( real64 const p ) -> real64 { return computeCoefficients( p, temperature, composition ).second; } ); @@ -457,12 +452,12 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; geos::testing::internal::testNumericalDerivative( - temperature, dT, daMixtureCoefficient_dt, + temperature, dT, aMixtureCoefficientDerivs[Deriv::dT], [&]( real64 const t ) -> real64 { return computeCoefficients( pressure, t, composition ).first; } ); geos::testing::internal::testNumericalDerivative( - temperature, dT, dbMixtureCoefficient_dt, + temperature, dT, bMixtureCoefficientDerivs[Deriv::dT], [&]( real64 const t ) -> real64 { return computeCoefficients( pressure, t, composition ).second; } ); @@ -478,12 +473,12 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > return coefficients; }; geos::testing::internal::testNumericalDerivative( - 0.0, dz, daMixtureCoefficient_dz[ic], + 0.0, dz, aMixtureCoefficientDerivs[Deriv::dC+ic], [&]( real64 const z ) -> real64 { return computeComponentCoefficients( z ).first; } ); geos::testing::internal::testNumericalDerivative( - 0.0, dz, dbMixtureCoefficient_dz[ic], + 0.0, dz, bMixtureCoefficientDerivs[Deriv::dC+ic], [&]( real64 const z ) -> real64 { return computeComponentCoefficients( z ).second; } ); @@ -543,6 +538,8 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, { public: using DerivativeTestFixture< EOS, NC >::numComps; + using DerivativeTestFixture< EOS, NC >::numDof; + using Deriv = typename DerivativeTestFixture< EOS, NC >::Deriv; using ParamType = typename DerivativeTestFixture< EOS, NC >::ParamType; public: void testNumericalDerivatives( ParamType const & testData ) const @@ -550,22 +547,16 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, auto const componentProperties = this->m_fluid->createKernelWrapper(); auto const binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); + stackArray1d< real64, numComps > aPureCoefficient( numComps ); + stackArray1d< real64, numComps > bPureCoefficient( numComps ); real64 aMixtureCoefficient = 0.0; real64 bMixtureCoefficient = 0.0; - real64 daMixtureCoefficient_dp = 0.0; - real64 dbMixtureCoefficient_dp = 0.0; - real64 daMixtureCoefficient_dt = 0.0; - real64 dbMixtureCoefficient_dt = 0.0; - array1d< real64 > daMixtureCoefficient_dz( numComps ); - array1d< real64 > dbMixtureCoefficient_dz( numComps ); - - real64 dCompressibilityFactor_dp = 0.0; - real64 dCompressibilityFactor_dt = 0.0; - array1d< real64 > dCompressibilityFactor_dz( numComps ); - - array1d< real64 > composition; + stackArray1d< real64, numDof > aMixtureCoefficientDerivs( numDof ); + stackArray1d< real64, numDof > bMixtureCoefficientDerivs( numDof ); + + stackArray1d< real64, numDof > compressibilityFactorDerivs( numDof ); + + stackArray1d< real64, numComps > composition; real64 const pressure = std::get< 0 >( testData ); real64 const temperature = std::get< 1 >( testData ); TestFluid< NC >::createArray( composition, std::get< 2 >( testData )); @@ -574,18 +565,18 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, real64 z = 0.0; CubicEOSPhaseModel< EOS >::computeMixtureCoefficients( numComps, - p, t, zmf, + p, t, zmf.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), aMixtureCoefficient, bMixtureCoefficient ); CubicEOSPhaseModel< EOS >::computeCompressibilityFactor( numComps, - zmf, + zmf.toSliceConst(), binaryInteractionCoefficients, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, z ); @@ -600,38 +591,28 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, numComps, pressure, temperature, - composition, + composition.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz ); + aMixtureCoefficientDerivs.toSlice(), + bMixtureCoefficientDerivs.toSlice() ); CubicEOSPhaseModel< EOS >::computeCompressibilityFactor( numComps, aMixtureCoefficient, bMixtureCoefficient, compressibilityFactor, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz, - dCompressibilityFactor_dp, - dCompressibilityFactor_dt, - dCompressibilityFactor_dz ); + aMixtureCoefficientDerivs.toSliceConst(), + bMixtureCoefficientDerivs.toSliceConst(), + compressibilityFactorDerivs.toSlice() ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; geos::testing::internal::testNumericalDerivative( - pressure, dp, dCompressibilityFactor_dp, + pressure, dp, compressibilityFactorDerivs[Deriv::dP], [&]( real64 const p ) -> real64 { return computeCompressibilityFactor( p, temperature, composition ); } ); @@ -639,7 +620,7 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; geos::testing::internal::testNumericalDerivative( - temperature, dT, dCompressibilityFactor_dt, + temperature, dT, compressibilityFactorDerivs[Deriv::dT], [&]( real64 const t ) -> real64 { return computeCompressibilityFactor( pressure, t, composition ); } ); @@ -649,7 +630,7 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, for( integer ic = 0; ic < numComps; ++ic ) { geos::testing::internal::testNumericalDerivative( - 0.0, dz, dCompressibilityFactor_dz[ic], + 0.0, dz, compressibilityFactorDerivs[Deriv::dC+ic], [&]( real64 const z ) -> real64 { composition[ic] += z; real64 const compressibility = computeCompressibilityFactor( pressure, temperature, composition ); @@ -705,3 +686,140 @@ INSTANTIATE_TEST_SUITE_P( CompressibilityDerivativeSRK4TestFixture, ::testing::ValuesIn( generateTestData< 4 >()) ); + +template< typename EOS, int NC > +class FugacityDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > +{ +public: + using DerivativeTestFixture< EOS, NC >::numComps; + using DerivativeTestFixture< EOS, NC >::numDof; + using Deriv = typename DerivativeTestFixture< EOS, NC >::Deriv; + using ParamType = typename DerivativeTestFixture< EOS, NC >::ParamType; +public: + void testNumericalDerivatives( ParamType const & testData ) const + { + auto const componentProperties = this->m_fluid->createKernelWrapper(); + + stackArray1d< real64, numComps > logFugacityCoefficients( numComps ); + stackArray2d< real64, numComps *numDof > logFugacityCoefficientDerivs( numComps, numDof ); + + stackArray1d< real64, numComps > composition; + real64 const pressure = std::get< 0 >( testData ); + real64 const temperature = std::get< 1 >( testData ); + TestFluid< NC >::createArray( composition, std::get< 2 >( testData )); + + auto const calculateLogFugacityCoefficients = [&]( integer const ic, real64 const p, real64 const t, auto const & zmf ) -> real64 { + stackArray1d< real64, numComps > displacedLogFugacityCoefficients( numComps ); + CubicEOSPhaseModel< EOS >::computeLogFugacityCoefficients( numComps, + p, + t, + zmf.toSliceConst(), + componentProperties, + displacedLogFugacityCoefficients.toSlice() ); + return displacedLogFugacityCoefficients[ic]; + }; + + // Calculate values + CubicEOSPhaseModel< EOS >::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + logFugacityCoefficients.toSlice() ); + + // Calculate derivatives + CubicEOSPhaseModel< EOS >::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + logFugacityCoefficients.toSliceConst(), + logFugacityCoefficientDerivs.toSlice() ); + + // Compare against numerical derivatives + // -- Pressure derivative + real64 const dp = 1.0e-4 * pressure; + for( integer ic = 0; ic < numComps; ++ic ) + { + geos::testing::internal::testNumericalDerivative( + pressure, dp, logFugacityCoefficientDerivs( ic, Deriv::dP ), + [&]( real64 const p ) -> real64 { + return calculateLogFugacityCoefficients( ic, p, temperature, composition ); + } ); + } + + // -- Temperature derivative + real64 const dT = 1.0e-6 * temperature; + for( integer ic = 0; ic < numComps; ++ic ) + { + geos::testing::internal::testNumericalDerivative( + temperature, dT, logFugacityCoefficientDerivs( ic, Deriv::dT ), + [&]( real64 const t ) -> real64 { + return calculateLogFugacityCoefficients( ic, pressure, t, composition ); + } ); + } + + // -- Composition derivatives + real64 const dz = 1.0e-7; + for( integer ic = 0; ic < numComps; ++ic ) + { + for( integer jc = 0; jc < numComps; ++jc ) + { + geos::testing::internal::testNumericalDerivative( + 0.0, dz, logFugacityCoefficientDerivs( ic, Deriv::dC + jc ), + [&]( real64 const z ) -> real64 { + composition[jc] += z; + real64 const logFugacityCoefficient = calculateLogFugacityCoefficients( ic, pressure, temperature, composition ); + composition[jc] -= z; + return logFugacityCoefficient; + }, 1.0e-6 ); + } + } + } +}; + +using FugacityDerivativePR2TestFixture = FugacityDerivativeTestFixture< PengRobinsonEOS, 2 >; +using FugacityDerivativePR4TestFixture = FugacityDerivativeTestFixture< PengRobinsonEOS, 4 >; +using FugacityDerivativeSRK2TestFixture = FugacityDerivativeTestFixture< SoaveRedlichKwongEOS, 2 >; +using FugacityDerivativeSRK4TestFixture = FugacityDerivativeTestFixture< SoaveRedlichKwongEOS, 4 >; + +TEST_P( FugacityDerivativePR2TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} +TEST_P( FugacityDerivativePR4TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} +TEST_P( FugacityDerivativeSRK2TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} +TEST_P( FugacityDerivativeSRK4TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} + +// 2-component fluid test +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativePR2TestFixture, + ::testing::ValuesIn( generateTestData< 2 >()) + ); +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativeSRK2TestFixture, + ::testing::ValuesIn( generateTestData< 2 >()) + ); + +// 4-component fluid test +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativePR4TestFixture, + ::testing::ValuesIn( generateTestData< 4 >()) + ); +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativeSRK4TestFixture, + ::testing::ValuesIn( generateTestData< 4 >()) + ); diff --git a/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp b/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp index de5548fd714..30719f0eff7 100644 --- a/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp +++ b/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp @@ -56,13 +56,13 @@ class WilsonKValueInitializationTestFixture : integer const compIndex = std::get< 2 >( GetParam() ); real64 const expectedKValue = std::get< 3 >( GetParam() ); - array1d< real64 > kValues( numComps ); + stackArray1d< real64, NC > kValues( numComps ); KValueInitialization::computeWilsonGasLiquidKvalue( numComps, pressure, temperature, createKernelWrapper(), - kValues ); + kValues.toSlice() ); ASSERT_EQ( kValues.size(), NC ); checkRelativeError( expectedKValue, kValues[compIndex], relTol ); diff --git a/src/coreComponents/constitutive/unitTests/testLohrenzBrayClarkViscosity.cpp b/src/coreComponents/constitutive/unitTests/testLohrenzBrayClarkViscosity.cpp new file mode 100644 index 00000000000..d956071bb5b --- /dev/null +++ b/src/coreComponents/constitutive/unitTests/testLohrenzBrayClarkViscosity.cpp @@ -0,0 +1,277 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +// Source includes +#include "codingUtilities/UnitTestUtilities.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp" +#include "constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp" +#include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" + +using namespace geos::constitutive::compositional; + +namespace geos +{ +namespace testing +{ + +template< int NC > +using ViscosityData = std::tuple< + integer const, // Mixing type + real64 const, // pressure + real64 const, // temperature + Feed< NC > const, // phase composition + real64 const // expected viscosity + >; + +template< int NC > +struct FluidData {}; + +template<> +struct FluidData< 9 > +{ + static std::unique_ptr< TestFluid< 9 > > createFluid() + { + auto fluid = TestFluid< 9 >::create( {Fluid::H2O, Fluid::CO2, Fluid::N2, Fluid::C5, Fluid::C2, Fluid::C3, Fluid::C4, Fluid::C5, Fluid::C10} ); + const std::array< real64 const, 36 > bics = { + 0.01, 0, 0.003732, 0, 0.01, 0, 0, 0.01, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0.01, 0, 0.028, 0.01, 0.01, 0, 0, 0.01, 0, 0.04532, 0.01, 0.01, 0, 0, 0 + }; + fluid->setBinaryCoefficients( bics ); + return fluid; + } +}; + +template< int NC > +class LohrenzBrayClarkViscosityTestFixture : public ::testing::TestWithParam< ViscosityData< NC > > +{ + static constexpr real64 relTol = 1.0e-5; + static constexpr real64 absTol = 1.0e-7; + static constexpr int numComps = NC; + static constexpr int numDofs = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; +public: + LohrenzBrayClarkViscosityTestFixture() + : m_fluid( FluidData< NC >::createFluid() ) + { + ComponentProperties const & componentProperties = this->m_fluid->getComponentProperties(); + m_density = std::make_unique< CompositionalDensity< CubicEOSPhaseModel< PengRobinsonEOS > > >( "PhaseDensity", componentProperties ); + m_viscosity = std::make_unique< LohrenzBrayClarkViscosity >( "PhaseViscosity", componentProperties ); + } + + ~LohrenzBrayClarkViscosityTestFixture() = default; + + void testViscosity( ViscosityData< NC > const & data ) + { + auto const mixing_type = static_cast< LohrenzBrayClarkViscosityUpdate::MixingType >(std::get< 0 >( data )); + real64 const pressure = std::get< 1 >( data ); + real64 const temperature = std::get< 2 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 3 >( data )); + real64 const expectedViscosity = std::get< 4 >( data ); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + real64 viscosity = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto densityKernelWrapper = m_density->createKernelWrapper(); + auto viscosityKernelWrapper = m_viscosity->createKernelWrapper(); + + viscosityKernelWrapper.setMixingType( mixing_type ); + + densityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + tempDerivs.toSlice(), + massDensity, + tempDerivs.toSlice(), + false ); + + viscosityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + massDensity, + tempDerivs.toSliceConst(), + viscosity, + tempDerivs.toSlice(), + false ); + + checkRelativeError( viscosity, expectedViscosity, relTol, absTol ); + } + + void testViscosityDerivatives( ViscosityData< NC > const & data ) + { + auto const mixing_type = static_cast< LohrenzBrayClarkViscosityUpdate::MixingType >(std::get< 0 >( data )); + real64 const pressure = std::get< 1 >( data ); + real64 const temperature = std::get< 2 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 3 >( data )); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto densityKernelWrapper = m_density->createKernelWrapper(); + auto viscosityKernelWrapper = m_viscosity->createKernelWrapper(); + + viscosityKernelWrapper.setMixingType( mixing_type ); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + real64 viscosity = 0.0; + stackArray1d< real64, numDofs > molarDensityDerivs( numDofs ); + stackArray1d< real64, numDofs > massDensityDerivs( numDofs ); + stackArray1d< real64, numDofs > viscosityDerivs( numDofs ); + + densityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + molarDensityDerivs.toSlice(), + massDensity, + massDensityDerivs.toSlice(), + false ); + + viscosityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + massDensity, + massDensityDerivs.toSliceConst(), + viscosity, + viscosityDerivs.toSlice(), + false ); + + auto calculateViscosity = [&]( real64 const p, real64 const t, auto const & zmf ) -> real64 { + real64 densityMolar = 0.0; + real64 densityMass = 0.0; + real64 phaseViscosity = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + densityKernelWrapper.compute( componentProperties, p, t, zmf.toSliceConst(), + densityMolar, tempDerivs.toSlice(), densityMass, tempDerivs.toSlice(), false ); + viscosityKernelWrapper.compute( componentProperties, p, t, zmf.toSliceConst(), + densityMass, tempDerivs.toSliceConst(), phaseViscosity, tempDerivs.toSlice(), false ); + return phaseViscosity; + }; + + // Viscosity values are very small so we will inflate the values to avoid false positives due + // to the absolute value check + real64 constexpr scale = 1.0e6; + + // Compare against numerical derivatives + // -- Pressure derivative + real64 const dp = 1.0e-4 * pressure; + internal::testNumericalDerivative( + pressure, dp, scale*viscosityDerivs[Deriv::dP], + [&]( real64 const p ) -> real64 { + return scale*calculateViscosity( p, temperature, phaseComposition ); + } ); + + // -- Temperature derivative + real64 const dT = 1.0e-6 * temperature; + internal::testNumericalDerivative( + temperature, dT, scale*viscosityDerivs[Deriv::dT], + [&]( real64 const t ) -> real64 { + return scale*calculateViscosity( pressure, t, phaseComposition ); + } ); + + // -- Composition derivatives derivative + real64 const dz = 1.0e-7; + for( integer ic = 0; ic < 1; ++ic ) + { + internal::testNumericalDerivative( + 0.0, dz, scale*viscosityDerivs[Deriv::dC + ic], + [&]( real64 const z ) -> real64 { + stackArray1d< real64, numComps > zmf( numComps ); + for( integer jc = 0; jc < numComps; ++jc ) + { + zmf[jc] = phaseComposition[jc]; + } + zmf[ic] += z; + return scale*calculateViscosity( pressure, temperature, zmf ); + } ); + } + } + +protected: + std::unique_ptr< TestFluid< NC > > m_fluid{}; + std::unique_ptr< CompositionalDensity< CubicEOSPhaseModel< PengRobinsonEOS > > > m_density{}; + std::unique_ptr< LohrenzBrayClarkViscosity > m_viscosity{}; +}; + +using LohrenzBrayClarkViscosity9 = LohrenzBrayClarkViscosityTestFixture< 9 >; + +TEST_P( LohrenzBrayClarkViscosity9, testViscosity ) +{ + testViscosity( GetParam() ); +} + +TEST_P( LohrenzBrayClarkViscosity9, testViscosityDerivatives ) +{ + testViscosityDerivatives( GetParam() ); +} + +//------------------------------------------------------------------------------- +// Data generated by PVTPackage +//------------------------------------------------------------------------------- +INSTANTIATE_TEST_SUITE_P( + LohrenzBrayClarkViscosity, + LohrenzBrayClarkViscosity9, + ::testing::ValuesIn( { + ViscosityData< 9 >{ 0, 1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.041140e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.001152e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.064158e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.761220e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.659626e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.844604e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.062011e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.021978e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.085108e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.681288e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.230528e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.959149e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.033595e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.923634e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.133312e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.681118e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.229779e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.959939e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 6.123583e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 6.083595e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 6.146601e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.451048e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.440889e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.459387e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 6.170310e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 6.130277e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 6.193407e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 4.720985e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 4.675909e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 4.748771e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.078437e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.067441e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.088409e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 4.763030e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 4.717896e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 4.790912e-04 } + } ) + ); + +} // testing + +} // geos diff --git a/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp index bfc074c578d..6dfc1929eb1 100644 --- a/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp +++ b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp @@ -17,6 +17,7 @@ #include "constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp" #include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" #include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" using namespace geos::constitutive::compositional; @@ -64,6 +65,8 @@ class NegativeTwoPhaseFlashTestFixture : public ::testing::TestWithParam< Flash static constexpr real64 relTol = 1.0e-5; static constexpr real64 absTol = 1.0e-7; static constexpr int numComps = NC; + static constexpr int numDofs = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: NegativeTwoPhaseFlashTestFixture() : m_fluid( FluidData< NC >::createFluid() ) @@ -77,30 +80,33 @@ class NegativeTwoPhaseFlashTestFixture : public ::testing::TestWithParam< Flash real64 const pressure = std::get< 0 >( data ); real64 const temperature = std::get< 1 >( data ); - array1d< real64 > composition; + stackArray1d< real64, numComps > composition; TestFluid< NC >::createArray( composition, std::get< 2 >( data )); bool const expectedStatus = std::get< 3 >( data ); real64 const expectedVapourFraction = std::get< 4 >( data ); - stackArray1d< real64, NC > expectedLiquidComposition; + stackArray1d< real64, numComps > expectedLiquidComposition; TestFluid< NC >::createArray( expectedLiquidComposition, std::get< 5 >( data )); - stackArray1d< real64, NC > expectedVapourComposition; + stackArray1d< real64, numComps > expectedVapourComposition; TestFluid< NC >::createArray( expectedVapourComposition, std::get< 6 >( data )); real64 vapourFraction = -1.0; - array1d< real64 > liquidComposition( numComps ); - array1d< real64 > vapourComposition( numComps ); + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); bool status = NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( numComps, pressure, temperature, - composition, + composition.toSliceConst(), componentProperties, + kValues.toSlice(), vapourFraction, - liquidComposition, - vapourComposition ); + liquidComposition.toSlice(), + vapourComposition.toSlice() ); // Check the flash success result ASSERT_EQ( expectedStatus, status ); @@ -132,6 +138,126 @@ class NegativeTwoPhaseFlashTestFixture : public ::testing::TestWithParam< Flash } } + void testFlashDerivatives( FlashData< NC > const & data ) + { + // Number of output values from each flash calculation + constexpr integer numValues = 1 + 2*numComps; + + auto componentProperties = this->m_fluid->createKernelWrapper(); + + bool const expectedStatus = std::get< 3 >( data ); + if( !expectedStatus ) return; + + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > composition; + TestFluid< NC >::createArray( composition, std::get< 2 >( data )); + + real64 vapourFraction = -1.0; + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); + + stackArray1d< real64, numDofs > vapourFractionDerivs( numDofs ); + stackArray2d< real64, numComps * numDofs > liquidCompositionDerivs( numComps, numDofs ); + stackArray2d< real64, numComps * numDofs > vapourCompositionDerivs( numComps, numDofs ); + stackArray1d< real64, numValues > derivatives( numValues ); + + // Combine values and derivatives into a single output + auto const concatDerivatives = []( integer const kc, auto & derivs, auto const & v, auto const & xmf, auto const & ymf ){ + derivs[0] = v[kc]; + for( integer ic = 0; ic < numComps; ++ic ) + { + derivs[1+ic] = xmf( ic, kc ); + derivs[1+ic+numComps] = ymf( ic, kc ); + } + }; + std::cout << std::scientific << std::setprecision( 8 ); + + auto const evaluateFlash = [&]( real64 const p, real64 const t, auto const & zmf, auto & values ){ + stackArray1d< real64, numComps > displacedLiquidComposition( numComps ); + stackArray1d< real64, numComps > displacedVapourComposition( numComps ); + kValues.zero(); + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + p, + t, + zmf.toSliceConst(), + componentProperties, + kValues.toSlice(), + values[0], + displacedLiquidComposition.toSlice(), + displacedVapourComposition.toSlice() ); + for( integer ic = 0; ic < numComps; ++ic ) + { + values[1+ic] = displacedLiquidComposition[ic]; + values[1+ic+numComps] = displacedVapourComposition[ic]; + } + }; + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + kValues.toSlice(), + vapourFraction, + liquidComposition.toSlice(), + vapourComposition.toSlice() ); + + NegativeTwoPhaseFlash::computeDerivatives< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + vapourFraction, + liquidComposition.toSliceConst(), + vapourComposition.toSliceConst(), + vapourFractionDerivs.toSlice(), + liquidCompositionDerivs.toSlice(), + vapourCompositionDerivs.toSlice() ); + + // Test against numerically calculated values + // --- Pressure derivatives --- + concatDerivatives( Deriv::dP, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dp = 1.0e-4 * pressure; + geos::testing::internal::testNumericalDerivative< numValues >( + pressure, dp, derivatives, + [&]( real64 const p, auto & values ) { + evaluateFlash( p, temperature, composition, values ); + } ); + + // --- Temperature derivatives --- + concatDerivatives( Deriv::dT, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dT = 1.0e-6 * temperature; + geos::testing::internal::testNumericalDerivative< numValues >( + temperature, dT, derivatives, + [&]( real64 const t, auto & values ) { + evaluateFlash( pressure, t, composition, values ); + } ); + + // --- Composition derivatives --- + real64 constexpr dz = 1.0e-7; + for( integer jc = 0; jc < numComps; ++jc ) + { + if( composition[jc] < 1.0e-6 ) continue; + integer const kc = Deriv::dC + jc; + concatDerivatives( kc, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + geos::testing::internal::testNumericalDerivative< numValues >( + 0.0, dz, derivatives, + [&]( real64 const z, auto & values ) { + real64 const originalFraction = composition[jc]; + composition[jc] += z; + evaluateFlash( pressure, temperature, composition, values ); + composition[jc] = originalFraction; + }, relTol, absTol ); + } + } + protected: std::unique_ptr< TestFluid< NC > > m_fluid{}; }; @@ -161,6 +287,26 @@ TEST_P( NegativeTwoPhaseFlash4CompSRK, testNegativeFlash ) testFlash( GetParam() ); } +TEST_P( NegativeTwoPhaseFlash2CompPR, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash2CompSRK, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash4CompPR, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash4CompSRK, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + //------------------------------------------------------------------------------- // Data generated by PVTPackage //------------------------------------------------------------------------------- @@ -210,10 +356,10 @@ INSTANTIATE_TEST_SUITE_P( FlashData< 2 >( 1.013250e+05, 1.231500e+02, { 0.50000000, 0.50000000 }, true, 0.44681454, { 0.90248098, 0.09751902 }, { 0.00170237, 0.99829763 } ), FlashData< 2 >( 1.013250e+05, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00275426, { 0.90248098, 0.09751902 }, { 0.00170237, 0.99829763 } ), FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.10000000, 0.90000000 }, true, 0.00000000, { 0.10000000, 0.90000000 }, { 0.10000000, 0.90000000 } ), - FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, false, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49950202, 0.50049798 } ), + FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, true, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49950202, 0.50049798 } ), FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00000000, { 0.90000000, 0.10000000 }, { 0.90000000, 0.10000000 } ), FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.75000000, 0.25000000 }, true, 0.00000000, { 0.75000000, 0.25000000 }, { 0.74999999, 0.25000001 } ), - FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, false, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49979984, 0.50020016 } ), + FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, true, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49979984, 0.50020016 } ), FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00000000, { 0.90000000, 0.10000000 }, { 0.90000000, 0.10000000 } ), FlashData< 2 >( 1.000000e+08, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00000000, { 0.90000000, 0.10000000 }, { 0.90000000, 0.10000000 } ), FlashData< 2 >( 1.000000e+05, 1.931500e+02, { 0.10000000, 0.90000000 }, true, 1.00000000, { 0.10000000, 0.90000000 }, { 0.10000000, 0.90000000 } ), @@ -316,13 +462,13 @@ INSTANTIATE_TEST_SUITE_P( { 0.59975210, 0.00000000, 0.00078842, 0.39945949 } ), FlashData< 4 >( 1.000000e+07, 4.731500e+02, { 0.01000000, 0.00000000, 0.00000000, 0.99000000 }, true, 0.01121076, { 0.00102378, 0.00000000, 0.00000000, 0.99897622 }, { 0.80170284, 0.00000000, 0.00000000, 0.19829716 } ), - FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, false, 0.00000000, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, + FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, true, 0.00000000, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, { 0.72438623, 0.02564505, 0.01665696, 0.23331176 } ), - FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, false, 0.00000000, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, + FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, true, 0.00000000, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, { 0.73612750, 0.02738195, 0.01777184, 0.21871871 } ), FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.00000000, 0.10481800, 0.10482200, 0.79036000 }, true, 0.72801768, { 0.00000000, 0.38538472, 0.38540005, 0.22921523 }, { 0.00000000, 0.00000023, 0.00000000, 0.99999977 } ), - FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, false, 0.00000000, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, + FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, true, 0.00000000, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, { 0.74504275, 0.00000000, 0.01613702, 0.23882023 } ) ) ); diff --git a/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash9Comp.cpp b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash9Comp.cpp new file mode 100644 index 00000000000..9e214b56e5b --- /dev/null +++ b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash9Comp.cpp @@ -0,0 +1,540 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +// Source includes +#include "codingUtilities/UnitTestUtilities.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" + +using namespace geos::constitutive::compositional; + +namespace geos +{ +namespace testing +{ + +static constexpr integer numComps = 9; + +using FlashData = std::tuple< + real64 const, // pressure + real64 const, // temperature + Feed< numComps > const, // total composition + int, // expected flash status (success (1)/failure (0)) + real64 const, // expected vapour fraction + Feed< 2 > const, // expected liquid composition (2 selected components) + Feed< 2 > const // expected vapour composition (2 selected components) + >; + +template< typename EOS_TYPE > +class NegativeTwoPhaseFlashTest9CompFixture : public ::testing::TestWithParam< FlashData > +{ + static constexpr real64 relTol = 1.0e-5; + static constexpr real64 absTol = 1.0e-7; + static constexpr int numDofs = numComps + 2; + // Selected components for test + static constexpr int comp0 = 0; + static constexpr int comp1 = numComps-1; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; +public: + NegativeTwoPhaseFlashTest9CompFixture() + : m_fluid( createFluid() ) + {} + + ~NegativeTwoPhaseFlashTest9CompFixture() = default; + + void testFlash( FlashData const & data ) + { + auto componentProperties = this->m_fluid->createKernelWrapper(); + + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > composition; + TestFluid< numComps >::createArray( composition, std::get< 2 >( data )); + + bool const expectedStatus = std::get< 3 >( data ); + real64 const expectedVapourFraction = std::get< 4 >( data ); + + stackArray1d< real64, numComps > expectedLiquidComposition; + stackArray1d< real64, numComps > expectedVapourComposition; + TestFluid< numComps >::createArray( expectedLiquidComposition, std::get< 5 >( data )); + TestFluid< numComps >::createArray( expectedVapourComposition, std::get< 6 >( data )); + + real64 vapourFraction = -1.0; + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); + + bool status = NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + kValues.toSlice(), + vapourFraction, + liquidComposition.toSlice(), + vapourComposition.toSlice() ); + + // Check the flash success result + ASSERT_EQ( expectedStatus, status ); + + if( !expectedStatus ) + { + return; + } + + // Check the vaopur fraction + checkRelativeError( expectedVapourFraction, vapourFraction, relTol, absTol ); + + // Check liquid composition + if( expectedVapourFraction < 1.0 - absTol ) + { + checkRelativeError( expectedLiquidComposition[0], liquidComposition[comp0], relTol, absTol ); + checkRelativeError( expectedLiquidComposition[1], liquidComposition[comp1], relTol, absTol ); + } + + // Check vapour composition + if( absTol < expectedVapourFraction ) + { + checkRelativeError( expectedVapourComposition[0], vapourComposition[comp0], relTol, absTol ); + checkRelativeError( expectedVapourComposition[1], vapourComposition[comp1], relTol, absTol ); + } + } + + void testFlashDerivatives( FlashData const & data ) + { + // Number of output values from each flash calculation + constexpr integer numValues = 1 + 2*numComps; + + auto componentProperties = this->m_fluid->createKernelWrapper(); + + bool const expectedStatus = std::get< 3 >( data ); + if( !expectedStatus ) return; + + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > composition; + TestFluid< numComps >::createArray( composition, std::get< 2 >( data )); + + real64 vapourFraction = -1.0; + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); + + stackArray1d< real64, numDofs > vapourFractionDerivs( numDofs ); + stackArray2d< real64, numComps * numDofs > liquidCompositionDerivs( numComps, numDofs ); + stackArray2d< real64, numComps * numDofs > vapourCompositionDerivs( numComps, numDofs ); + stackArray1d< real64, numValues > derivatives( numValues ); + + // Combine values and derivatives into a single output + auto const concatDerivatives = []( integer const kc, auto & derivs, auto const & v, auto const & xmf, auto const & ymf ){ + derivs[0] = v[kc]; + for( integer ic = 0; ic < numComps; ++ic ) + { + derivs[1+ic] = xmf( ic, kc ); + derivs[1+ic+numComps] = ymf( ic, kc ); + } + }; + + auto const evaluateFlash = [&]( real64 const p, real64 const t, auto const & zmf, auto & values ){ + stackArray1d< real64, numComps > displacedLiquidComposition( numComps ); + stackArray1d< real64, numComps > displacedVapourComposition( numComps ); + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + p, + t, + zmf.toSliceConst(), + componentProperties, + kValues.toSlice(), + values[0], + displacedLiquidComposition.toSlice(), + displacedVapourComposition.toSlice() ); + for( integer ic = 0; ic < numComps; ++ic ) + { + values[1+ic] = displacedLiquidComposition[ic]; + values[1+ic+numComps] = displacedVapourComposition[ic]; + } + }; + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + kValues.toSlice(), + vapourFraction, + liquidComposition.toSlice(), + vapourComposition.toSlice() ); + + NegativeTwoPhaseFlash::computeDerivatives< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + vapourFraction, + liquidComposition.toSliceConst(), + vapourComposition.toSliceConst(), + vapourFractionDerivs.toSlice(), + liquidCompositionDerivs.toSlice(), + vapourCompositionDerivs.toSlice() ); + + // Test against numerically calculated values + // --- Pressure derivatives --- + concatDerivatives( Deriv::dP, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dp = 1.0e-4 * pressure; + geos::testing::internal::testNumericalDerivative< numValues >( + pressure, dp, derivatives, + [&]( real64 const p, auto & values ) { + evaluateFlash( p, temperature, composition, values ); + } ); + + // --- Temperature derivatives --- + concatDerivatives( Deriv::dT, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dT = 1.0e-6 * temperature; + geos::testing::internal::testNumericalDerivative< numValues >( + temperature, dT, derivatives, + [&]( real64 const t, auto & values ) { + evaluateFlash( pressure, t, composition, values ); + } ); + + // --- Composition derivatives --- + real64 constexpr dz = 1.0e-7; + for( integer jc = 0; jc < numComps; ++jc ) + { + if( composition[jc] < 1.0e-6 ) continue; + integer const kc = Deriv::dC + jc; + concatDerivatives( kc, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + geos::testing::internal::testNumericalDerivative< numValues >( + 0.0, dz, derivatives, + [&]( real64 const z, auto & values ) { + real64 const originalFraction = composition[jc]; + composition[jc] += z; + evaluateFlash( pressure, temperature, composition, values ); + composition[jc] = originalFraction; + }, 10*relTol, 10*absTol ); + } + } + +protected: + std::unique_ptr< TestFluid< numComps > > m_fluid{}; +private: + static std::unique_ptr< TestFluid< numComps > > createFluid(); +}; + +template< typename EOS_TYPE > +std::unique_ptr< TestFluid< numComps > > NegativeTwoPhaseFlashTest9CompFixture< EOS_TYPE >::createFluid() +{ + std::unique_ptr< TestFluid< numComps > > fluid = TestFluid< numComps >::create( {0, 0, 0, 0, 0, 0, 0, 0, 0} ); + // Manually populate + TestFluid< numComps >::populateArray( fluid->criticalPressure, Feed< 9 >{73.8659e5, 33.9439e5, 46.0421e5, 48.8387e5, 42.4552e5, 37.47e5, 33.5892e5, 30.1037e5, 20.549e5} ); + TestFluid< numComps >::populateArray( fluid->criticalTemperature, Feed< 9 >{304.7, 126.2, 190.6, 305.43, 369.8, 419.5, 465.9, 507.5, 678.8} ); + TestFluid< numComps >::populateArray( fluid->criticalVolume, Feed< 9 >{9.3999e-05, 9.0001e-05, 9.7999e-05, 1.4800e-04, 2.0000e-04, 2.5800e-04, 3.1000e-04, 3.5100e-04, 6.8243e-04} ); + TestFluid< numComps >::populateArray( fluid->acentricFactor, Feed< 9 >{0.225, 0.04, 0.013, 0.0986, 0.1524, 0.1956, 0.2413, 0.299, 0.5618} ); + TestFluid< numComps >::populateArray( fluid->molecularWeight, Feed< 9 >{44.01e-3, 28.01e-3, 16.04e-3, 30.07e-3, 44.1e-3, 58.12e-3, 72.15e-3, 84e-3, 173e-3} ); + TestFluid< numComps >::populateArray( fluid->volumeShift, Feed< 9 >{ -0.04958, -0.136012, -0.1486264, -0.10863408, -0.08349872, -0.06331568, -0.04196464, -0.0150072, 0.0000 } ); + fluid->setBinaryCoefficients( Feed< 36 >{ + 1.0000e-02, + 0.0000e+00, 3.7320e-03, + 0.0000e+00, 1.0000e-02, 0.0000e+00, + 0.0000e+00, 1.0000e-02, 0.0000e+00, 0.0000e+00, + 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, + 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, + 1.0000e-02, 0.0000e+00, 2.8000e-02, 1.0000e-02, 1.0000e-02, 0.0000e+00, 0.0000e+00, + 1.0000e-02, 0.0000e+00, 4.5320e-02, 1.0000e-02, 1.0000e-02, 0.0000e+00, 0.0000e+00, 0.0000e+00 + } ); + return fluid; +} + +using NegativeTwoPhaseFlash9CompPR = NegativeTwoPhaseFlashTest9CompFixture< CubicEOSPhaseModel< PengRobinsonEOS > >; +using NegativeTwoPhaseFlash9CompSRK = NegativeTwoPhaseFlashTest9CompFixture< CubicEOSPhaseModel< SoaveRedlichKwongEOS > >; + +TEST_P( NegativeTwoPhaseFlash9CompPR, testNegativeFlash ) +{ + testFlash( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash9CompPR, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash9CompSRK, testNegativeFlash ) +{ + testFlash( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash9CompSRK, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +//------------------------------------------------------------------------------- +// Data +//------------------------------------------------------------------------------- + +/* UNCRUSTIFY-OFF */ + +INSTANTIATE_TEST_SUITE_P( + NegativeTwoPhaseFlash, + NegativeTwoPhaseFlash9CompPR, + ::testing::Values( + FlashData( 1.000000e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.798353, {0.000363, 0.839010}, {0.011181, 0.000020} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998685, {0.000228, 0.938644}, {0.007035, 0.000022} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.798070, {0.000368, 0.837836}, {0.011184, 0.000020} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998684, {0.000231, 0.937856}, {0.007035, 0.000022} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.700780, {0.003486, 0.565464}, {0.011355, 0.000003} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.997643, {0.002159, 0.531971}, {0.007037, 0.000002} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.349114, {0.010010, 0.259905}, {0.007116, 0.000090} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.991703, {0.009755, 0.140969}, {0.007003, 0.000087} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.176058, {0.009422, 0.205086}, {0.007026, 0.001256} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.009422, 0.205089}, {0.007026, 0.001256} ), + FlashData( 5.000000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+08, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001168, {0.000348, 0.839991}, {0.013059, 0.000053} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.805671, {0.000295, 0.870461}, {0.011100, 0.000055} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998750, {0.000187, 0.957531}, {0.007035, 0.000059} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001057, {0.000350, 0.839898}, {0.012947, 0.000052} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.805431, {0.000299, 0.869390}, {0.011102, 0.000054} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998749, {0.000189, 0.956982}, {0.007035, 0.000058} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.719045, {0.002880, 0.602213}, {0.011391, 0.000007} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998097, {0.001770, 0.656139}, {0.007036, 0.000007} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.391974, {0.009806, 0.278198}, {0.007750, 0.000123} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.994318, {0.008887, 0.201207}, {0.007015, 0.000113} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.231493, {0.009474, 0.219807}, {0.007427, 0.001195} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999406, {0.009004, 0.228228}, {0.007025, 0.001121} ), + FlashData( 5.000000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.002535, {0.000327, 0.841142}, {0.014448, 0.000119} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.811028, {0.000249, 0.894832}, {0.011039, 0.000125} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998841, {0.000158, 0.968326}, {0.007034, 0.000134} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.002401, {0.000329, 0.841029}, {0.014353, 0.000118} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.810823, {0.000253, 0.893869}, {0.011041, 0.000124} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998839, {0.000161, 0.967914}, {0.007034, 0.000132} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.733594, {0.002451, 0.635078}, {0.011378, 0.000016} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998313, {0.001505, 0.734457}, {0.007035, 0.000017} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.426139, {0.009539, 0.294719}, {0.008274, 0.000169} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.995698, {0.008127, 0.256601}, {0.007021, 0.000153} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.275063, {0.009454, 0.232929}, {0.007803, 0.001242} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999403, {0.008577, 0.252667}, {0.007025, 0.001106} ), + FlashData( 5.000000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.009514, {0.000227, 0.847062}, {0.014475, 0.000776} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.820830, {0.000171, 0.940506}, {0.010927, 0.000840} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999605, {0.000110, 0.982954}, {0.007029, 0.000869} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.009213, {0.000231, 0.846804}, {0.014528, 0.000766} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.820694, {0.000173, 0.939845}, {0.010929, 0.000829} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999594, {0.000111, 0.982731}, {0.007029, 0.000858} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.763803, {0.001692, 0.716010}, {0.011260, 0.000105} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998655, {0.001048, 0.848573}, {0.007034, 0.000115} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.500392, {0.008630, 0.338259}, {0.009369, 0.000406} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.997667, {0.006476, 0.384497}, {0.007027, 0.000360} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.367748, {0.009160, 0.266615}, {0.008725, 0.001720} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 5.000000e+07, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.031155, {0.000097, 0.865831}, {0.008647, 0.004929} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.829852, {0.000120, 0.968392}, {0.010821, 0.005338} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.030488, {0.000099, 0.865241}, {0.008755, 0.004866} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.829724, {0.000121, 0.968002}, {0.010822, 0.005269} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.787992, {0.001191, 0.795638}, {0.011101, 0.000658} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999382, {0.000748, 0.906103}, {0.007030, 0.000696} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.567463, {0.007479, 0.389712}, {0.010159, 0.001120} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999429, {0.005131, 0.493383}, {0.007027, 0.000975} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.449715, {0.008545, 0.304966}, {0.009556, 0.003072} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.053370, {0.000054, 0.885524}, {0.005836, 0.013991} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.839835, {0.000099, 0.977972}, {0.010698, 0.014959} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.052543, {0.000056, 0.884773}, {0.005903, 0.013808} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.839621, {0.000100, 0.977689}, {0.010700, 0.014767} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.799362, {0.000988, 0.836026}, {0.011011, 0.001828} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.602229, {0.006805, 0.422215}, {0.010450, 0.002084} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.492074, {0.008098, 0.328602}, {0.009931, 0.004663} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.078426, {0.000034, 0.907428}, {0.004230, 0.035040} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.860286, {0.000083, 0.983960}, {0.010448, 0.036880} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.077531, {0.000035, 0.906620}, {0.004269, 0.034580} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.859825, {0.000084, 0.983745}, {0.010454, 0.036407} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.808966, {0.000846, 0.866838}, {0.010926, 0.004456} ), + FlashData( 1.000000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.630979, {0.006236, 0.452193}, {0.010617, 0.003695} ), + FlashData( 1.500000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.527277, {0.007678, 0.350047}, {0.010185, 0.007065} ), + FlashData( 1.500000e+07, 3.931500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 5.000000e+07, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.013250e+05, 5.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.013401, {0.000295, 0.847670}, {0.005333, 0.201455} ), + FlashData( 1.000000e+06, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.783614, {0.004654, 0.554668}, {0.010200, 0.062757} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.717160, {0.006496, 0.400841}, {0.009988, 0.077843} ), + FlashData( 1.013250e+05, 5.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 5.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.166124, {0.000103, 0.906268}, {0.001666, 0.501402} ), + FlashData( 1.000000e+07, 5.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.947056, {0.004797, 0.541766}, {0.009235, 0.148372} ), + FlashData( 8.000000e+07, 8.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 8.000000e+07, 8.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 8.000000e+07, 8.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ) + ) + ); + +INSTANTIATE_TEST_SUITE_P( + NegativeTwoPhaseFlash, + NegativeTwoPhaseFlash9CompSRK, + ::testing::Values( + FlashData( 1.000000e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000197, {0.000361, 0.839175}, {0.010852, 0.000016} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.798097, {0.000372, 0.837963}, {0.011183, 0.000016} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998678, {0.000233, 0.937435}, {0.007035, 0.000017} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000102, {0.000362, 0.839096}, {0.010741, 0.000015} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.797815, {0.000377, 0.836797}, {0.011185, 0.000015} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998677, {0.000236, 0.936631}, {0.007035, 0.000017} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.701296, {0.003551, 0.566442}, {0.011321, 0.000002} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.997601, {0.002208, 0.522879}, {0.007038, 0.000002} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.355337, {0.010126, 0.262428}, {0.006957, 0.000064} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.990607, {0.010007, 0.127315}, {0.006998, 0.000061} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.189968, {0.009500, 0.208646}, {0.006869, 0.001001} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998881, {0.009683, 0.203759}, {0.007023, 0.001029} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001347, {0.000346, 0.840142}, {0.012715, 0.000042} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.805502, {0.000302, 0.869750}, {0.011100, 0.000044} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998737, {0.000191, 0.957109}, {0.007035, 0.000047} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001238, {0.000348, 0.840050}, 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1.000000e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.054177, {0.000055, 0.886321}, {0.005743, 0.013044} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.838983, {0.000101, 0.978218}, {0.010708, 0.013933} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.053352, {0.000056, 0.885570}, {0.005808, 0.012873} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.838780, {0.000102, 0.977938}, {0.010710, 0.013754} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.799463, {0.001011, 0.837056}, {0.011004, 0.001676} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.599654, {0.006926, 0.420077}, {0.010385, 0.001707} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.487747, {0.008205, 0.326722}, {0.009835, 0.003763} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.079189, {0.000034, 0.908297}, {0.004184, 0.033343} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.858658, {0.000085, 0.984127}, {0.010467, 0.035057} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.078302, {0.000035, 0.907492}, {0.004221, 0.032904} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.858220, {0.000086, 0.983915}, {0.010473, 0.034607} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.808878, {0.000868, 0.867643}, {0.010922, 0.004171} ), + FlashData( 1.000000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.627809, {0.006355, 0.449384}, {0.010568, 0.003096} ), + FlashData( 1.500000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.521757, {0.007786, 0.347485}, {0.010113, 0.005784} ), + FlashData( 1.000000e+06, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.013083, {0.000299, 0.847460}, {0.005181, 0.201586} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.771605, {0.004757, 0.549320}, {0.010256, 0.056684} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.692342, {0.006548, 0.399534}, {0.010089, 0.066846} ), + FlashData( 1.000000e+06, 5.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.168528, {0.000106, 0.906625}, {0.001631, 0.505413} ), + FlashData( 1.000000e+07, 5.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 5.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.914262, {0.004869, 0.538035}, {0.009387, 0.134611} ), + FlashData( 1.500000e+07, 5.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.986509, {0.007097, 0.343039}, {0.009026, 0.166823} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ) + ) + ); + +/* UNCRUSTIFY-ON */ + +} // testing + +} // geos diff --git a/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp b/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp index c8a9c878213..22cda3aa388 100644 --- a/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp +++ b/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp @@ -87,8 +87,7 @@ class MultiphasePoromechanics : public MGRStrategyBase< 3 > m_levelGlobalSmootherType[1] = MGRGlobalSmootherType::none; // Level 2 - m_levelFRelaxType[2] = MGRFRelaxationType::jacobi; - m_levelFRelaxIters[2] = 1; + m_levelFRelaxType[2] = MGRFRelaxationType::none; m_levelInterpType[2] = MGRInterpolationType::injection; m_levelRestrictType[2] = MGRRestrictionType::blockColLumped; // True-IMPES m_levelCoarseGridMethod[2] = MGRCoarseGridMethod::galerkinRAI; diff --git a/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp b/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp index ef75ab18317..6b4f9069c06 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp @@ -103,13 +103,15 @@ void CompositionalMultiphaseReservoirAndWells< CompositionalMultiphaseBase >:: setMGRStrategy() { - if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseFVM ) + if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseHybridFVM ) { - m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirFVM; + // add Reservoir + m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirHybridFVM; } else { - m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirHybridFVM; + // add Reservoir + m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirFVM; } } @@ -118,12 +120,14 @@ void CompositionalMultiphaseReservoirAndWells< MultiphasePoromechanics< CompositionalMultiphaseBase > >:: setMGRStrategy() { + // flow solver here is indeed flow solver, not poromechanics solver if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseHybridFVM ) { - GEOS_LOG_RANK_0( "The MGR strategy for hybrid FVM is not implemented" ); + GEOS_LOG_RANK_0( "The poromechanics MGR strategy for hybrid FVM is not implemented" ); } else { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::multiphasePoromechanicsReservoirFVM; } } diff --git a/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp b/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp index 871982d3787..d3673115083 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp @@ -97,12 +97,14 @@ void SinglePhaseReservoirAndWells< SinglePhaseBase >:: setMGRStrategy() { - if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirHybridFVM ) + if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseHybridFVM ) { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirHybridFVM; } else { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirFVM; } } @@ -112,12 +114,14 @@ void SinglePhaseReservoirAndWells< SinglePhasePoromechanics< SinglePhaseBase > >:: setMGRStrategy() { - if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirHybridFVM ) + // flow solver here is indeed flow solver, not poromechanics solver + if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseHybridFVM ) { - GEOS_LOG_RANK_0( "The MGR strategy for hybrid FVM is not implemented" ); + GEOS_LOG_RANK_0( "The poromechanics MGR strategy for hybrid FVM is not implemented" ); } else { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::singlePhasePoromechanicsReservoirFVM; } } diff --git a/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst b/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst index c9db4e7d190..dab7f7ffa9f 100644 --- a/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst +++ b/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst @@ -11,6 +11,7 @@ componentCriticalTemperature real64_array required Component critical temp componentMolarWeight real64_array required Component molar weights componentNames string_array required List of component names componentVolumeShift real64_array {0} Component volume shifts +constantPhaseViscosity real64_array {0} Viscosity for each phase equationsOfState string_array required List of equation of state types for each phase name groupName required A name is required for any non-unique nodes phaseNames groupNameRef_array required List of fluid phases diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson.rst similarity index 100% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson.rst diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC.rst similarity index 100% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC.rst diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst similarity index 96% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst index 28636011f61..c8f51e2b3c9 100644 --- a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst @@ -11,6 +11,7 @@ dPhaseInternalEnergy real64_array4d dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios phaseCompFraction real64_array4d Phase component fraction phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step phaseDensity real64_array3d Phase density diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst similarity index 96% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst index 28636011f61..c8f51e2b3c9 100644 --- a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst @@ -11,6 +11,7 @@ dPhaseInternalEnergy real64_array4d dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios phaseCompFraction real64_array4d Phase component fraction phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step phaseDensity real64_array3d Phase density diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst new file mode 100644 index 00000000000..cf67a8118c4 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst @@ -0,0 +1,19 @@ + + +============================ ================== ======== ============================================================================================================ +Name Type Default Description +============================ ================== ======== ============================================================================================================ +checkPVTTablesRanges integer 1 Enable (1) or disable (0) an error when the input pressure or temperature of the PVT tables is out of range. +componentAcentricFactor real64_array required Component acentric factors +componentBinaryCoeff real64_array2d {{0}} Table of binary interaction coefficients +componentCriticalPressure real64_array required Component critical pressures +componentCriticalTemperature real64_array required Component critical temperatures +componentCriticalVolume real64_array {0} Component critical volumnes +componentMolarWeight real64_array required Component molar weights +componentNames string_array required List of component names +componentVolumeShift real64_array {0} Component volume shifts +name groupName required A name is required for any non-unique nodes +phaseNames groupNameRef_array required List of fluid phases +============================ ================== ======== ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst new file mode 100644 index 00000000000..cf67a8118c4 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst @@ -0,0 +1,19 @@ + + +============================ ================== ======== ============================================================================================================ +Name Type Default Description +============================ ================== ======== ============================================================================================================ +checkPVTTablesRanges integer 1 Enable (1) or disable (0) an error when the input pressure or temperature of the PVT tables is out of range. +componentAcentricFactor real64_array required Component acentric factors +componentBinaryCoeff real64_array2d {{0}} Table of binary interaction coefficients +componentCriticalPressure real64_array required Component critical pressures +componentCriticalTemperature real64_array required Component critical temperatures +componentCriticalVolume real64_array {0} Component critical volumnes +componentMolarWeight real64_array required Component molar weights +componentNames string_array required List of component names +componentVolumeShift real64_array {0} Component volume shifts +name groupName required A name is required for any non-unique nodes +phaseNames groupNameRef_array required List of fluid phases +============================ ================== ======== ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst new file mode 100644 index 00000000000..c8f51e2b3c9 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst @@ -0,0 +1,31 @@ + + +===================== ========================================================================================= ============================================================================================================ +Name Type Description +===================== ========================================================================================= ============================================================================================================ +dPhaseCompFraction LvArray_Array, int, LvArray_ChaiBuffer> Derivative of phase component fraction with respect to pressure, temperature, and global component fractions +dPhaseDensity real64_array4d Derivative of phase density with respect to pressure, temperature, and global component fractions +dPhaseEnthalpy real64_array4d Derivative of phase enthalpy with respect to pressure, temperature, and global component fractions +dPhaseFraction real64_array4d Derivative of phase fraction with respect to pressure, temperature, and global component fractions +dPhaseInternalEnergy real64_array4d Derivative of phase internal energy with respect to pressure, temperature, and global component fractions +dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions +dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions +dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios +phaseCompFraction real64_array4d Phase component fraction +phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step +phaseDensity real64_array3d Phase density +phaseDensity_n real64_array3d Phase density at the previous converged time step +phaseEnthalpy real64_array3d Phase enthalpy +phaseEnthalpy_n real64_array3d Phase enthalpy at the previous converged time step +phaseFraction real64_array3d Phase fraction +phaseInternalEnergy real64_array3d Phase internal energy +phaseInternalEnergy_n real64_array3d Phase internal energy at the previous converged time step +phaseMassDensity real64_array3d Phase mass density +phaseViscosity real64_array3d Phase viscosity +totalDensity real64_array2d Total density +totalDensity_n real64_array2d Total density at the previous converged time step +useMass integer (no description available) +===================== ========================================================================================= ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst new file mode 100644 index 00000000000..c8f51e2b3c9 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst @@ -0,0 +1,31 @@ + + +===================== ========================================================================================= ============================================================================================================ +Name Type Description +===================== ========================================================================================= ============================================================================================================ +dPhaseCompFraction LvArray_Array, int, LvArray_ChaiBuffer> Derivative of phase component fraction with respect to pressure, temperature, and global component fractions +dPhaseDensity real64_array4d Derivative of phase density with respect to pressure, temperature, and global component fractions +dPhaseEnthalpy real64_array4d Derivative of phase enthalpy with respect to pressure, temperature, and global component fractions +dPhaseFraction real64_array4d Derivative of phase fraction with respect to pressure, temperature, and global component fractions +dPhaseInternalEnergy real64_array4d Derivative of phase internal energy with respect to pressure, temperature, and global component fractions +dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions +dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions +dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios +phaseCompFraction real64_array4d Phase component fraction +phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step +phaseDensity real64_array3d Phase density +phaseDensity_n real64_array3d Phase density at the previous converged time step +phaseEnthalpy real64_array3d Phase enthalpy +phaseEnthalpy_n real64_array3d Phase enthalpy at the previous converged time step +phaseFraction real64_array3d Phase fraction +phaseInternalEnergy real64_array3d Phase internal energy +phaseInternalEnergy_n real64_array3d Phase internal energy at the previous converged time step +phaseMassDensity real64_array3d Phase mass density +phaseViscosity real64_array3d Phase viscosity +totalDensity real64_array2d Total density +totalDensity_n real64_array2d Total density at the previous converged time step +useMass integer (no description available) +===================== ========================================================================================= ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/Constitutive.rst b/src/coreComponents/schema/docs/Constitutive.rst index f0a48fcf31f..c68ec412fa7 100644 --- a/src/coreComponents/schema/docs/Constitutive.rst +++ b/src/coreComponents/schema/docs/Constitutive.rst @@ -1,90 +1,92 @@ -============================================= ==== ======= ======================================================== -Name Type Default Description -============================================= ==== ======= ======================================================== -BiotPorosity node :ref:`XML_BiotPorosity` -BlackOilFluid node :ref:`XML_BlackOilFluid` -BrooksCoreyBakerRelativePermeability node :ref:`XML_BrooksCoreyBakerRelativePermeability` -BrooksCoreyCapillaryPressure node :ref:`XML_BrooksCoreyCapillaryPressure` -BrooksCoreyRelativePermeability node :ref:`XML_BrooksCoreyRelativePermeability` -BrooksCoreyStone2RelativePermeability node :ref:`XML_BrooksCoreyStone2RelativePermeability` -CO2BrineEzrokhiFluid node :ref:`XML_CO2BrineEzrokhiFluid` -CO2BrineEzrokhiThermalFluid node :ref:`XML_CO2BrineEzrokhiThermalFluid` -CO2BrinePhillipsFluid node :ref:`XML_CO2BrinePhillipsFluid` -CO2BrinePhillipsThermalFluid node :ref:`XML_CO2BrinePhillipsThermalFluid` -CarmanKozenyPermeability node :ref:`XML_CarmanKozenyPermeability` -CeramicDamage node :ref:`XML_CeramicDamage` -CompositionalMultiphaseFluid node :ref:`XML_CompositionalMultiphaseFluid` -CompositonalTwoPhaseFluidPengRobinson node :ref:`XML_CompositonalTwoPhaseFluidPengRobinson` -CompositonalTwoPhaseFluidSoaveRedlichKwong node :ref:`XML_CompositonalTwoPhaseFluidSoaveRedlichKwong` -CompressibleSinglePhaseFluid node :ref:`XML_CompressibleSinglePhaseFluid` -CompressibleSolidCarmanKozenyPermeability node :ref:`XML_CompressibleSolidCarmanKozenyPermeability` -CompressibleSolidConstantPermeability node :ref:`XML_CompressibleSolidConstantPermeability` -CompressibleSolidExponentialDecayPermeability node :ref:`XML_CompressibleSolidExponentialDecayPermeability` -CompressibleSolidParallelPlatesPermeability node :ref:`XML_CompressibleSolidParallelPlatesPermeability` -CompressibleSolidSlipDependentPermeability node :ref:`XML_CompressibleSolidSlipDependentPermeability` -CompressibleSolidWillisRichardsPermeability node :ref:`XML_CompressibleSolidWillisRichardsPermeability` -ConstantDiffusion node :ref:`XML_ConstantDiffusion` -ConstantPermeability node :ref:`XML_ConstantPermeability` -Coulomb node :ref:`XML_Coulomb` -DamageElasticIsotropic node :ref:`XML_DamageElasticIsotropic` -DamageSpectralElasticIsotropic node :ref:`XML_DamageSpectralElasticIsotropic` -DamageVolDevElasticIsotropic node :ref:`XML_DamageVolDevElasticIsotropic` -DeadOilFluid node :ref:`XML_DeadOilFluid` -DelftEgg node :ref:`XML_DelftEgg` -DruckerPrager node :ref:`XML_DruckerPrager` -ElasticIsotropic node :ref:`XML_ElasticIsotropic` -ElasticIsotropicPressureDependent node :ref:`XML_ElasticIsotropicPressureDependent` -ElasticOrthotropic node :ref:`XML_ElasticOrthotropic` -ElasticTransverseIsotropic node :ref:`XML_ElasticTransverseIsotropic` -ExponentialDecayPermeability node :ref:`XML_ExponentialDecayPermeability` -ExtendedDruckerPrager node :ref:`XML_ExtendedDruckerPrager` -FrictionlessContact node :ref:`XML_FrictionlessContact` -JFunctionCapillaryPressure node :ref:`XML_JFunctionCapillaryPressure` -LinearIsotropicDispersion node :ref:`XML_LinearIsotropicDispersion` -ModifiedCamClay node :ref:`XML_ModifiedCamClay` -MultiPhaseConstantThermalConductivity node :ref:`XML_MultiPhaseConstantThermalConductivity` -MultiPhaseVolumeWeightedThermalConductivity node :ref:`XML_MultiPhaseVolumeWeightedThermalConductivity` -NullModel node :ref:`XML_NullModel` -ParallelPlatesPermeability node :ref:`XML_ParallelPlatesPermeability` -ParticleFluid node :ref:`XML_ParticleFluid` -PerfectlyPlastic node :ref:`XML_PerfectlyPlastic` -PermeabilityBase node :ref:`XML_PermeabilityBase` -PorousDamageElasticIsotropic node :ref:`XML_PorousDamageElasticIsotropic` -PorousDamageSpectralElasticIsotropic node :ref:`XML_PorousDamageSpectralElasticIsotropic` -PorousDamageVolDevElasticIsotropic node :ref:`XML_PorousDamageVolDevElasticIsotropic` -PorousDelftEgg node :ref:`XML_PorousDelftEgg` -PorousDruckerPrager node :ref:`XML_PorousDruckerPrager` -PorousElasticIsotropic node :ref:`XML_PorousElasticIsotropic` -PorousElasticOrthotropic node :ref:`XML_PorousElasticOrthotropic` -PorousElasticTransverseIsotropic node :ref:`XML_PorousElasticTransverseIsotropic` -PorousExtendedDruckerPrager node :ref:`XML_PorousExtendedDruckerPrager` -PorousModifiedCamClay node :ref:`XML_PorousModifiedCamClay` -PorousViscoDruckerPrager node :ref:`XML_PorousViscoDruckerPrager` -PorousViscoExtendedDruckerPrager node :ref:`XML_PorousViscoExtendedDruckerPrager` -PorousViscoModifiedCamClay node :ref:`XML_PorousViscoModifiedCamClay` -PressurePorosity node :ref:`XML_PressurePorosity` -ProppantPermeability node :ref:`XML_ProppantPermeability` -ProppantPorosity node :ref:`XML_ProppantPorosity` -ProppantSlurryFluid node :ref:`XML_ProppantSlurryFluid` -ProppantSolidProppantPermeability node :ref:`XML_ProppantSolidProppantPermeability` -ReactiveBrine node :ref:`XML_ReactiveBrine` -ReactiveBrineThermal node :ref:`XML_ReactiveBrineThermal` -SinglePhaseConstantThermalConductivity node :ref:`XML_SinglePhaseConstantThermalConductivity` -SlipDependentPermeability node :ref:`XML_SlipDependentPermeability` -SolidInternalEnergy node :ref:`XML_SolidInternalEnergy` -TableCapillaryPressure node :ref:`XML_TableCapillaryPressure` -TableRelativePermeability node :ref:`XML_TableRelativePermeability` -TableRelativePermeabilityHysteresis node :ref:`XML_TableRelativePermeabilityHysteresis` -ThermalCompressibleSinglePhaseFluid node :ref:`XML_ThermalCompressibleSinglePhaseFluid` -VanGenuchtenBakerRelativePermeability node :ref:`XML_VanGenuchtenBakerRelativePermeability` -VanGenuchtenCapillaryPressure node :ref:`XML_VanGenuchtenCapillaryPressure` -VanGenuchtenStone2RelativePermeability node :ref:`XML_VanGenuchtenStone2RelativePermeability` -ViscoDruckerPrager node :ref:`XML_ViscoDruckerPrager` -ViscoExtendedDruckerPrager node :ref:`XML_ViscoExtendedDruckerPrager` -ViscoModifiedCamClay node :ref:`XML_ViscoModifiedCamClay` -WillisRichardsPermeability node :ref:`XML_WillisRichardsPermeability` -============================================= ==== ======= ======================================================== +============================================== ==== ======= ========================================================= +Name Type Default Description +============================================== ==== ======= ========================================================= +BiotPorosity node :ref:`XML_BiotPorosity` +BlackOilFluid node :ref:`XML_BlackOilFluid` +BrooksCoreyBakerRelativePermeability node :ref:`XML_BrooksCoreyBakerRelativePermeability` +BrooksCoreyCapillaryPressure node :ref:`XML_BrooksCoreyCapillaryPressure` +BrooksCoreyRelativePermeability node :ref:`XML_BrooksCoreyRelativePermeability` +BrooksCoreyStone2RelativePermeability node :ref:`XML_BrooksCoreyStone2RelativePermeability` +CO2BrineEzrokhiFluid node :ref:`XML_CO2BrineEzrokhiFluid` +CO2BrineEzrokhiThermalFluid node :ref:`XML_CO2BrineEzrokhiThermalFluid` +CO2BrinePhillipsFluid node :ref:`XML_CO2BrinePhillipsFluid` +CO2BrinePhillipsThermalFluid node :ref:`XML_CO2BrinePhillipsThermalFluid` +CarmanKozenyPermeability node :ref:`XML_CarmanKozenyPermeability` +CeramicDamage node :ref:`XML_CeramicDamage` +CompositionalMultiphaseFluid node :ref:`XML_CompositionalMultiphaseFluid` +CompositionalTwoPhaseFluidPengRobinson node :ref:`XML_CompositionalTwoPhaseFluidPengRobinson` +CompositionalTwoPhaseFluidPengRobinsonLBC node :ref:`XML_CompositionalTwoPhaseFluidPengRobinsonLBC` +CompositionalTwoPhaseFluidSoaveRedlichKwong node :ref:`XML_CompositionalTwoPhaseFluidSoaveRedlichKwong` +CompositionalTwoPhaseFluidSoaveRedlichKwongLBC node :ref:`XML_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC` +CompressibleSinglePhaseFluid node :ref:`XML_CompressibleSinglePhaseFluid` +CompressibleSolidCarmanKozenyPermeability node :ref:`XML_CompressibleSolidCarmanKozenyPermeability` +CompressibleSolidConstantPermeability node :ref:`XML_CompressibleSolidConstantPermeability` +CompressibleSolidExponentialDecayPermeability node :ref:`XML_CompressibleSolidExponentialDecayPermeability` +CompressibleSolidParallelPlatesPermeability node :ref:`XML_CompressibleSolidParallelPlatesPermeability` +CompressibleSolidSlipDependentPermeability node :ref:`XML_CompressibleSolidSlipDependentPermeability` +CompressibleSolidWillisRichardsPermeability node :ref:`XML_CompressibleSolidWillisRichardsPermeability` +ConstantDiffusion node :ref:`XML_ConstantDiffusion` +ConstantPermeability node :ref:`XML_ConstantPermeability` +Coulomb node :ref:`XML_Coulomb` +DamageElasticIsotropic node :ref:`XML_DamageElasticIsotropic` +DamageSpectralElasticIsotropic node :ref:`XML_DamageSpectralElasticIsotropic` +DamageVolDevElasticIsotropic node :ref:`XML_DamageVolDevElasticIsotropic` +DeadOilFluid node :ref:`XML_DeadOilFluid` +DelftEgg node :ref:`XML_DelftEgg` +DruckerPrager node :ref:`XML_DruckerPrager` +ElasticIsotropic node :ref:`XML_ElasticIsotropic` +ElasticIsotropicPressureDependent node :ref:`XML_ElasticIsotropicPressureDependent` +ElasticOrthotropic node :ref:`XML_ElasticOrthotropic` +ElasticTransverseIsotropic node :ref:`XML_ElasticTransverseIsotropic` +ExponentialDecayPermeability node :ref:`XML_ExponentialDecayPermeability` +ExtendedDruckerPrager node :ref:`XML_ExtendedDruckerPrager` +FrictionlessContact node :ref:`XML_FrictionlessContact` +JFunctionCapillaryPressure node :ref:`XML_JFunctionCapillaryPressure` +LinearIsotropicDispersion node :ref:`XML_LinearIsotropicDispersion` +ModifiedCamClay node :ref:`XML_ModifiedCamClay` +MultiPhaseConstantThermalConductivity node :ref:`XML_MultiPhaseConstantThermalConductivity` +MultiPhaseVolumeWeightedThermalConductivity node :ref:`XML_MultiPhaseVolumeWeightedThermalConductivity` +NullModel node :ref:`XML_NullModel` +ParallelPlatesPermeability node :ref:`XML_ParallelPlatesPermeability` +ParticleFluid node :ref:`XML_ParticleFluid` +PerfectlyPlastic node :ref:`XML_PerfectlyPlastic` +PermeabilityBase node :ref:`XML_PermeabilityBase` +PorousDamageElasticIsotropic node :ref:`XML_PorousDamageElasticIsotropic` +PorousDamageSpectralElasticIsotropic node :ref:`XML_PorousDamageSpectralElasticIsotropic` +PorousDamageVolDevElasticIsotropic node :ref:`XML_PorousDamageVolDevElasticIsotropic` +PorousDelftEgg node :ref:`XML_PorousDelftEgg` +PorousDruckerPrager node :ref:`XML_PorousDruckerPrager` +PorousElasticIsotropic node :ref:`XML_PorousElasticIsotropic` +PorousElasticOrthotropic node :ref:`XML_PorousElasticOrthotropic` +PorousElasticTransverseIsotropic node :ref:`XML_PorousElasticTransverseIsotropic` +PorousExtendedDruckerPrager node :ref:`XML_PorousExtendedDruckerPrager` +PorousModifiedCamClay node :ref:`XML_PorousModifiedCamClay` +PorousViscoDruckerPrager node :ref:`XML_PorousViscoDruckerPrager` +PorousViscoExtendedDruckerPrager node :ref:`XML_PorousViscoExtendedDruckerPrager` +PorousViscoModifiedCamClay node :ref:`XML_PorousViscoModifiedCamClay` +PressurePorosity node :ref:`XML_PressurePorosity` +ProppantPermeability node :ref:`XML_ProppantPermeability` +ProppantPorosity node :ref:`XML_ProppantPorosity` +ProppantSlurryFluid node :ref:`XML_ProppantSlurryFluid` +ProppantSolidProppantPermeability node :ref:`XML_ProppantSolidProppantPermeability` +ReactiveBrine node :ref:`XML_ReactiveBrine` +ReactiveBrineThermal node :ref:`XML_ReactiveBrineThermal` +SinglePhaseConstantThermalConductivity node :ref:`XML_SinglePhaseConstantThermalConductivity` +SlipDependentPermeability node :ref:`XML_SlipDependentPermeability` +SolidInternalEnergy node :ref:`XML_SolidInternalEnergy` +TableCapillaryPressure node :ref:`XML_TableCapillaryPressure` +TableRelativePermeability node :ref:`XML_TableRelativePermeability` +TableRelativePermeabilityHysteresis node :ref:`XML_TableRelativePermeabilityHysteresis` +ThermalCompressibleSinglePhaseFluid node :ref:`XML_ThermalCompressibleSinglePhaseFluid` +VanGenuchtenBakerRelativePermeability node :ref:`XML_VanGenuchtenBakerRelativePermeability` +VanGenuchtenCapillaryPressure node :ref:`XML_VanGenuchtenCapillaryPressure` +VanGenuchtenStone2RelativePermeability node :ref:`XML_VanGenuchtenStone2RelativePermeability` +ViscoDruckerPrager node :ref:`XML_ViscoDruckerPrager` +ViscoExtendedDruckerPrager node :ref:`XML_ViscoExtendedDruckerPrager` +ViscoModifiedCamClay node :ref:`XML_ViscoModifiedCamClay` +WillisRichardsPermeability node :ref:`XML_WillisRichardsPermeability` +============================================== ==== ======= ========================================================= diff --git a/src/coreComponents/schema/docs/Constitutive_other.rst b/src/coreComponents/schema/docs/Constitutive_other.rst index 9ce0f20a901..ad9b49f53c9 100644 --- a/src/coreComponents/schema/docs/Constitutive_other.rst +++ b/src/coreComponents/schema/docs/Constitutive_other.rst @@ -1,90 +1,92 @@ -============================================= ==== ================================================================== -Name Type Description -============================================= ==== ================================================================== -BiotPorosity node :ref:`DATASTRUCTURE_BiotPorosity` -BlackOilFluid node :ref:`DATASTRUCTURE_BlackOilFluid` -BrooksCoreyBakerRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyBakerRelativePermeability` -BrooksCoreyCapillaryPressure node :ref:`DATASTRUCTURE_BrooksCoreyCapillaryPressure` -BrooksCoreyRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyRelativePermeability` -BrooksCoreyStone2RelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyStone2RelativePermeability` -CO2BrineEzrokhiFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiFluid` -CO2BrineEzrokhiThermalFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiThermalFluid` -CO2BrinePhillipsFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsFluid` -CO2BrinePhillipsThermalFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsThermalFluid` -CarmanKozenyPermeability node :ref:`DATASTRUCTURE_CarmanKozenyPermeability` -CeramicDamage node :ref:`DATASTRUCTURE_CeramicDamage` -CompositionalMultiphaseFluid node :ref:`DATASTRUCTURE_CompositionalMultiphaseFluid` -CompositonalTwoPhaseFluidPengRobinson node :ref:`DATASTRUCTURE_CompositonalTwoPhaseFluidPengRobinson` -CompositonalTwoPhaseFluidSoaveRedlichKwong node :ref:`DATASTRUCTURE_CompositonalTwoPhaseFluidSoaveRedlichKwong` -CompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_CompressibleSinglePhaseFluid` -CompressibleSolidCarmanKozenyPermeability node :ref:`DATASTRUCTURE_CompressibleSolidCarmanKozenyPermeability` -CompressibleSolidConstantPermeability node :ref:`DATASTRUCTURE_CompressibleSolidConstantPermeability` -CompressibleSolidExponentialDecayPermeability node :ref:`DATASTRUCTURE_CompressibleSolidExponentialDecayPermeability` -CompressibleSolidParallelPlatesPermeability node :ref:`DATASTRUCTURE_CompressibleSolidParallelPlatesPermeability` -CompressibleSolidSlipDependentPermeability node :ref:`DATASTRUCTURE_CompressibleSolidSlipDependentPermeability` -CompressibleSolidWillisRichardsPermeability node :ref:`DATASTRUCTURE_CompressibleSolidWillisRichardsPermeability` -ConstantDiffusion node :ref:`DATASTRUCTURE_ConstantDiffusion` -ConstantPermeability node :ref:`DATASTRUCTURE_ConstantPermeability` -Coulomb node :ref:`DATASTRUCTURE_Coulomb` -DamageElasticIsotropic node :ref:`DATASTRUCTURE_DamageElasticIsotropic` -DamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_DamageSpectralElasticIsotropic` -DamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_DamageVolDevElasticIsotropic` -DeadOilFluid node :ref:`DATASTRUCTURE_DeadOilFluid` -DelftEgg node :ref:`DATASTRUCTURE_DelftEgg` -DruckerPrager node :ref:`DATASTRUCTURE_DruckerPrager` -ElasticIsotropic node :ref:`DATASTRUCTURE_ElasticIsotropic` -ElasticIsotropicPressureDependent node :ref:`DATASTRUCTURE_ElasticIsotropicPressureDependent` -ElasticOrthotropic node :ref:`DATASTRUCTURE_ElasticOrthotropic` -ElasticTransverseIsotropic node :ref:`DATASTRUCTURE_ElasticTransverseIsotropic` -ExponentialDecayPermeability node :ref:`DATASTRUCTURE_ExponentialDecayPermeability` -ExtendedDruckerPrager node :ref:`DATASTRUCTURE_ExtendedDruckerPrager` -FrictionlessContact node :ref:`DATASTRUCTURE_FrictionlessContact` -JFunctionCapillaryPressure node :ref:`DATASTRUCTURE_JFunctionCapillaryPressure` -LinearIsotropicDispersion node :ref:`DATASTRUCTURE_LinearIsotropicDispersion` -ModifiedCamClay node :ref:`DATASTRUCTURE_ModifiedCamClay` -MultiPhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseConstantThermalConductivity` -MultiPhaseVolumeWeightedThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseVolumeWeightedThermalConductivity` -NullModel node :ref:`DATASTRUCTURE_NullModel` -ParallelPlatesPermeability node :ref:`DATASTRUCTURE_ParallelPlatesPermeability` -ParticleFluid node :ref:`DATASTRUCTURE_ParticleFluid` -PerfectlyPlastic node :ref:`DATASTRUCTURE_PerfectlyPlastic` -PermeabilityBase node :ref:`DATASTRUCTURE_PermeabilityBase` -PorousDamageElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageElasticIsotropic` -PorousDamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageSpectralElasticIsotropic` -PorousDamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageVolDevElasticIsotropic` -PorousDelftEgg node :ref:`DATASTRUCTURE_PorousDelftEgg` -PorousDruckerPrager node :ref:`DATASTRUCTURE_PorousDruckerPrager` -PorousElasticIsotropic node :ref:`DATASTRUCTURE_PorousElasticIsotropic` -PorousElasticOrthotropic node :ref:`DATASTRUCTURE_PorousElasticOrthotropic` -PorousElasticTransverseIsotropic node :ref:`DATASTRUCTURE_PorousElasticTransverseIsotropic` -PorousExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousExtendedDruckerPrager` -PorousModifiedCamClay node :ref:`DATASTRUCTURE_PorousModifiedCamClay` -PorousViscoDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoDruckerPrager` -PorousViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoExtendedDruckerPrager` -PorousViscoModifiedCamClay node :ref:`DATASTRUCTURE_PorousViscoModifiedCamClay` -PressurePorosity node :ref:`DATASTRUCTURE_PressurePorosity` -ProppantPermeability node :ref:`DATASTRUCTURE_ProppantPermeability` -ProppantPorosity node :ref:`DATASTRUCTURE_ProppantPorosity` -ProppantSlurryFluid node :ref:`DATASTRUCTURE_ProppantSlurryFluid` -ProppantSolidProppantPermeability node :ref:`DATASTRUCTURE_ProppantSolidProppantPermeability` -ReactiveBrine node :ref:`DATASTRUCTURE_ReactiveBrine` -ReactiveBrineThermal node :ref:`DATASTRUCTURE_ReactiveBrineThermal` -SinglePhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_SinglePhaseConstantThermalConductivity` -SlipDependentPermeability node :ref:`DATASTRUCTURE_SlipDependentPermeability` -SolidInternalEnergy node :ref:`DATASTRUCTURE_SolidInternalEnergy` -TableCapillaryPressure node :ref:`DATASTRUCTURE_TableCapillaryPressure` -TableRelativePermeability node :ref:`DATASTRUCTURE_TableRelativePermeability` -TableRelativePermeabilityHysteresis node :ref:`DATASTRUCTURE_TableRelativePermeabilityHysteresis` -ThermalCompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_ThermalCompressibleSinglePhaseFluid` -VanGenuchtenBakerRelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenBakerRelativePermeability` -VanGenuchtenCapillaryPressure node :ref:`DATASTRUCTURE_VanGenuchtenCapillaryPressure` -VanGenuchtenStone2RelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenStone2RelativePermeability` -ViscoDruckerPrager node :ref:`DATASTRUCTURE_ViscoDruckerPrager` -ViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_ViscoExtendedDruckerPrager` -ViscoModifiedCamClay node :ref:`DATASTRUCTURE_ViscoModifiedCamClay` -WillisRichardsPermeability node :ref:`DATASTRUCTURE_WillisRichardsPermeability` -============================================= ==== ================================================================== +============================================== ==== =================================================================== +Name Type Description +============================================== ==== =================================================================== +BiotPorosity node :ref:`DATASTRUCTURE_BiotPorosity` +BlackOilFluid node :ref:`DATASTRUCTURE_BlackOilFluid` +BrooksCoreyBakerRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyBakerRelativePermeability` +BrooksCoreyCapillaryPressure node :ref:`DATASTRUCTURE_BrooksCoreyCapillaryPressure` +BrooksCoreyRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyRelativePermeability` +BrooksCoreyStone2RelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyStone2RelativePermeability` +CO2BrineEzrokhiFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiFluid` +CO2BrineEzrokhiThermalFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiThermalFluid` +CO2BrinePhillipsFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsFluid` +CO2BrinePhillipsThermalFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsThermalFluid` +CarmanKozenyPermeability node :ref:`DATASTRUCTURE_CarmanKozenyPermeability` +CeramicDamage node :ref:`DATASTRUCTURE_CeramicDamage` +CompositionalMultiphaseFluid node :ref:`DATASTRUCTURE_CompositionalMultiphaseFluid` +CompositionalTwoPhaseFluidPengRobinson node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinson` +CompositionalTwoPhaseFluidPengRobinsonLBC node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinsonLBC` +CompositionalTwoPhaseFluidSoaveRedlichKwong node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwong` +CompositionalTwoPhaseFluidSoaveRedlichKwongLBC node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC` +CompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_CompressibleSinglePhaseFluid` +CompressibleSolidCarmanKozenyPermeability node :ref:`DATASTRUCTURE_CompressibleSolidCarmanKozenyPermeability` +CompressibleSolidConstantPermeability node :ref:`DATASTRUCTURE_CompressibleSolidConstantPermeability` +CompressibleSolidExponentialDecayPermeability node :ref:`DATASTRUCTURE_CompressibleSolidExponentialDecayPermeability` +CompressibleSolidParallelPlatesPermeability node :ref:`DATASTRUCTURE_CompressibleSolidParallelPlatesPermeability` +CompressibleSolidSlipDependentPermeability node :ref:`DATASTRUCTURE_CompressibleSolidSlipDependentPermeability` +CompressibleSolidWillisRichardsPermeability node :ref:`DATASTRUCTURE_CompressibleSolidWillisRichardsPermeability` +ConstantDiffusion node :ref:`DATASTRUCTURE_ConstantDiffusion` +ConstantPermeability node :ref:`DATASTRUCTURE_ConstantPermeability` +Coulomb node :ref:`DATASTRUCTURE_Coulomb` +DamageElasticIsotropic node :ref:`DATASTRUCTURE_DamageElasticIsotropic` +DamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_DamageSpectralElasticIsotropic` +DamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_DamageVolDevElasticIsotropic` +DeadOilFluid node :ref:`DATASTRUCTURE_DeadOilFluid` +DelftEgg node :ref:`DATASTRUCTURE_DelftEgg` +DruckerPrager node :ref:`DATASTRUCTURE_DruckerPrager` +ElasticIsotropic node :ref:`DATASTRUCTURE_ElasticIsotropic` +ElasticIsotropicPressureDependent node :ref:`DATASTRUCTURE_ElasticIsotropicPressureDependent` +ElasticOrthotropic node :ref:`DATASTRUCTURE_ElasticOrthotropic` +ElasticTransverseIsotropic node :ref:`DATASTRUCTURE_ElasticTransverseIsotropic` +ExponentialDecayPermeability node :ref:`DATASTRUCTURE_ExponentialDecayPermeability` +ExtendedDruckerPrager node :ref:`DATASTRUCTURE_ExtendedDruckerPrager` +FrictionlessContact node :ref:`DATASTRUCTURE_FrictionlessContact` +JFunctionCapillaryPressure node :ref:`DATASTRUCTURE_JFunctionCapillaryPressure` +LinearIsotropicDispersion node :ref:`DATASTRUCTURE_LinearIsotropicDispersion` +ModifiedCamClay node :ref:`DATASTRUCTURE_ModifiedCamClay` +MultiPhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseConstantThermalConductivity` +MultiPhaseVolumeWeightedThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseVolumeWeightedThermalConductivity` +NullModel node :ref:`DATASTRUCTURE_NullModel` +ParallelPlatesPermeability node :ref:`DATASTRUCTURE_ParallelPlatesPermeability` +ParticleFluid node :ref:`DATASTRUCTURE_ParticleFluid` +PerfectlyPlastic node :ref:`DATASTRUCTURE_PerfectlyPlastic` +PermeabilityBase node :ref:`DATASTRUCTURE_PermeabilityBase` +PorousDamageElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageElasticIsotropic` +PorousDamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageSpectralElasticIsotropic` +PorousDamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageVolDevElasticIsotropic` +PorousDelftEgg node :ref:`DATASTRUCTURE_PorousDelftEgg` +PorousDruckerPrager node :ref:`DATASTRUCTURE_PorousDruckerPrager` +PorousElasticIsotropic node :ref:`DATASTRUCTURE_PorousElasticIsotropic` +PorousElasticOrthotropic node :ref:`DATASTRUCTURE_PorousElasticOrthotropic` +PorousElasticTransverseIsotropic node :ref:`DATASTRUCTURE_PorousElasticTransverseIsotropic` +PorousExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousExtendedDruckerPrager` +PorousModifiedCamClay node :ref:`DATASTRUCTURE_PorousModifiedCamClay` +PorousViscoDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoDruckerPrager` +PorousViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoExtendedDruckerPrager` +PorousViscoModifiedCamClay node :ref:`DATASTRUCTURE_PorousViscoModifiedCamClay` +PressurePorosity node :ref:`DATASTRUCTURE_PressurePorosity` +ProppantPermeability node :ref:`DATASTRUCTURE_ProppantPermeability` +ProppantPorosity node :ref:`DATASTRUCTURE_ProppantPorosity` +ProppantSlurryFluid node :ref:`DATASTRUCTURE_ProppantSlurryFluid` +ProppantSolidProppantPermeability node :ref:`DATASTRUCTURE_ProppantSolidProppantPermeability` +ReactiveBrine node :ref:`DATASTRUCTURE_ReactiveBrine` +ReactiveBrineThermal node :ref:`DATASTRUCTURE_ReactiveBrineThermal` +SinglePhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_SinglePhaseConstantThermalConductivity` +SlipDependentPermeability node :ref:`DATASTRUCTURE_SlipDependentPermeability` +SolidInternalEnergy node :ref:`DATASTRUCTURE_SolidInternalEnergy` +TableCapillaryPressure node :ref:`DATASTRUCTURE_TableCapillaryPressure` +TableRelativePermeability node :ref:`DATASTRUCTURE_TableRelativePermeability` +TableRelativePermeabilityHysteresis node :ref:`DATASTRUCTURE_TableRelativePermeabilityHysteresis` +ThermalCompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_ThermalCompressibleSinglePhaseFluid` +VanGenuchtenBakerRelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenBakerRelativePermeability` +VanGenuchtenCapillaryPressure node :ref:`DATASTRUCTURE_VanGenuchtenCapillaryPressure` +VanGenuchtenStone2RelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenStone2RelativePermeability` +ViscoDruckerPrager node :ref:`DATASTRUCTURE_ViscoDruckerPrager` +ViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_ViscoExtendedDruckerPrager` +ViscoModifiedCamClay node :ref:`DATASTRUCTURE_ViscoModifiedCamClay` +WillisRichardsPermeability node :ref:`DATASTRUCTURE_WillisRichardsPermeability` +============================================== ==== =================================================================== diff --git a/src/coreComponents/schema/docs/PVTDriver.rst b/src/coreComponents/schema/docs/PVTDriver.rst index 6faf196ec68..9196c73c11a 100644 --- a/src/coreComponents/schema/docs/PVTDriver.rst +++ b/src/coreComponents/schema/docs/PVTDriver.rst @@ -1,19 +1,20 @@ -====================== ============ ======== ================================================================ -Name Type Default Description -====================== ============ ======== ================================================================ -baseline path none Baseline file -feedComposition real64_array required Feed composition array [mol fraction] -fluid groupNameRef required Fluid to test -logLevel integer 0 Log level -name groupName required A name is required for any non-unique nodes -output string none Output file -outputCompressibility integer 0 Flag to indicate that the total compressibility should be output -outputPhaseComposition integer 0 Flag to indicate that phase compositions should be output -pressureControl groupNameRef required Function controlling pressure time history -steps integer required Number of load steps to take -temperatureControl groupNameRef required Function controlling temperature time history -====================== ============ ======== ================================================================ +====================== ============ ======== ===================================================================== +Name Type Default Description +====================== ============ ======== ===================================================================== +baseline path none Baseline file +feedComposition real64_array required Feed composition array [mol fraction] +fluid groupNameRef required Fluid to test +logLevel integer 0 Log level +name groupName required A name is required for any non-unique nodes +output string none Output file +outputCompressibility integer 0 Flag to indicate that the total compressibility should be output +outputMassDensity integer 0 Flag to indicate that the mass density of each phase should be output +outputPhaseComposition integer 0 Flag to indicate that phase compositions should be output +pressureControl groupNameRef required Function controlling pressure time history +steps integer required Number of load steps to take +temperatureControl groupNameRef required Function controlling temperature time history +====================== ============ ======== ===================================================================== diff --git a/src/coreComponents/schema/schema.xsd b/src/coreComponents/schema/schema.xsd index c4a1fa77a16..904c4e58302 100644 --- a/src/coreComponents/schema/schema.xsd +++ b/src/coreComponents/schema/schema.xsd @@ -565,12 +565,20 @@ - - + + - - + + + + + + + + + + @@ -3612,6 +3620,8 @@ Local - Add stabilization only to interiors of macro elements.--> + + @@ -3765,8 +3775,10 @@ Local - Add stabilization only to interiors of macro elements.--> - - + + + + @@ -4077,6 +4089,8 @@ The expected format is "{ waterMax, oilMax }", in that order--> + + @@ -4084,7 +4098,55 @@ The expected format is "{ waterMax, oilMax }", in that order--> - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -4108,7 +4170,7 @@ The expected format is "{ waterMax, oilMax }", in that order--> - + diff --git a/src/coreComponents/schema/schema.xsd.other b/src/coreComponents/schema/schema.xsd.other index 1e0a54c1348..a2fe29ca010 100644 --- a/src/coreComponents/schema/schema.xsd.other +++ b/src/coreComponents/schema/schema.xsd.other @@ -1358,8 +1358,10 @@ - - + + + + @@ -1831,7 +1833,7 @@ - + @@ -1848,6 +1850,8 @@ + + @@ -1877,7 +1881,7 @@ - + @@ -1894,6 +1898,104 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional.xml b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional.xml new file mode 100644 index 00000000000..8a2bab3b501 --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional.xml @@ -0,0 +1,192 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPR.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPR.txt new file mode 100644 index 00000000000..d0479350bf9 --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPR.txt @@ -0,0 +1,112 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.8078e+03 1.3932e-08 1.0000e+00 0.0000e+00 6.8078e+03 6.8078e+03 3.4772e+02 3.4772e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.7113e+03 1.4639e-08 1.0000e+00 0.0000e+00 6.7113e+03 6.7113e+03 3.4279e+02 3.4279e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-02 3.3000e+07 5.5315e+02 6.6112e+03 1.5406e-08 1.0000e+00 0.0000e+00 6.6112e+03 6.6112e+03 3.3768e+02 3.3768e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +6.0000e-02 3.2000e+07 5.5315e+02 6.5075e+03 1.6240e-08 1.0000e+00 0.0000e+00 6.5075e+03 6.5075e+03 3.3238e+02 3.3238e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +8.0000e-02 3.1000e+07 5.5315e+02 6.3998e+03 1.7151e-08 0.0000e+00 1.0000e+00 6.3998e+03 6.3998e+03 3.2688e+02 3.2688e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.0000e-01 3.0000e+07 5.5315e+02 6.2879e+03 1.8147e-08 0.0000e+00 1.0000e+00 6.2879e+03 6.2879e+03 3.2117e+02 3.2117e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.2000e-01 2.9000e+07 5.5315e+02 6.1715e+03 1.9240e-08 0.0000e+00 1.0000e+00 6.1715e+03 6.1715e+03 3.1522e+02 3.1522e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.4000e-01 2.8000e+07 5.5315e+02 6.0503e+03 2.0443e-08 0.0000e+00 1.0000e+00 6.0503e+03 6.0503e+03 3.0903e+02 3.0903e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.6000e-01 2.7000e+07 5.5315e+02 5.9240e+03 2.1772e-08 0.0000e+00 1.0000e+00 5.9240e+03 5.9240e+03 3.0258e+02 3.0258e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8000e-01 2.6000e+07 5.5315e+02 5.7922e+03 2.3244e-08 0.0000e+00 1.0000e+00 5.7922e+03 5.7922e+03 2.9585e+02 2.9585e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e-01 2.5000e+07 5.5315e+02 5.6546e+03 2.4879e-08 0.0000e+00 1.0000e+00 5.6546e+03 5.6546e+03 2.8882e+02 2.8882e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.2000e-01 2.4000e+07 5.5315e+02 5.5107e+03 2.6704e-08 0.0000e+00 1.0000e+00 5.5107e+03 5.5107e+03 2.8147e+02 2.8147e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.4000e-01 2.3000e+07 5.5315e+02 5.3601e+03 2.8747e-08 0.0000e+00 1.0000e+00 5.3601e+03 5.3601e+03 2.7378e+02 2.7378e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.6000e-01 2.2000e+07 5.5315e+02 5.2024e+03 3.1042e-08 0.0000e+00 1.0000e+00 5.2024e+03 5.2024e+03 2.6572e+02 2.6572e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.8000e-01 2.1000e+07 5.5315e+02 5.0370e+03 3.3630e-08 0.0000e+00 1.0000e+00 5.0370e+03 5.0370e+03 2.5728e+02 2.5728e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +3.0000e-01 2.0000e+07 5.5315e+02 4.8634e+03 3.6560e-08 0.0000e+00 1.0000e+00 4.8634e+03 4.8634e+03 2.4841e+02 2.4841e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +3.2000e-01 1.9000e+07 5.5315e+02 4.6812e+03 3.9890e-08 0.0000e+00 1.0000e+00 4.6812e+03 4.6812e+03 2.3910e+02 2.3910e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +3.4000e-01 1.8000e+07 5.5315e+02 4.4898e+03 4.3686e-08 0.0000e+00 1.0000e+00 4.4898e+03 4.4898e+03 2.2933e+02 2.2933e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +3.6000e-01 1.7000e+07 5.5315e+02 4.2898e+03 4.6261e-08 4.5641e-02 9.5436e-01 4.7351e+03 4.2706e+03 3.3247e+02 2.1533e+02 1.0000e-03 1.0000e-03 7.6825e-03 2.2373e-03 4.2618e-01 1.0167e-01 8.3774e-02 4.6651e-02 2.2890e-02 1.7745e-02 2.9117e-01 9.0452e-03 3.0262e-03 5.3843e-01 1.1504e-01 8.8042e-02 4.5564e-02 2.0832e-02 1.5009e-02 1.6501e-01 +3.8000e-01 1.6000e+07 5.5315e+02 4.0893e+03 4.9564e-08 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8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.7800e+00 2.4000e+07 5.8315e+02 5.0846e+03 2.8736e-08 0.0000e+00 1.0000e+00 5.0846e+03 5.0846e+03 2.5971e+02 2.5971e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8000e+00 2.5000e+07 5.8315e+02 5.2278e+03 2.6853e-08 0.0000e+00 1.0000e+00 5.2278e+03 5.2278e+03 2.6702e+02 2.6702e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8200e+00 2.6000e+07 5.8315e+02 5.3654e+03 2.5153e-08 0.0000e+00 1.0000e+00 5.3654e+03 5.3654e+03 2.7405e+02 2.7405e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8400e+00 2.7000e+07 5.8315e+02 5.4978e+03 2.3615e-08 0.0000e+00 1.0000e+00 5.4978e+03 5.4978e+03 2.8081e+02 2.8081e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8600e+00 2.8000e+07 5.8315e+02 5.6252e+03 2.2218e-08 0.0000e+00 1.0000e+00 5.6252e+03 5.6252e+03 2.8732e+02 2.8732e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8800e+00 2.9000e+07 5.8315e+02 5.7479e+03 2.0947e-08 0.0000e+00 1.0000e+00 5.7479e+03 5.7479e+03 2.9359e+02 2.9359e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9000e+00 3.0000e+07 5.8315e+02 5.8661e+03 1.9787e-08 0.0000e+00 1.0000e+00 5.8661e+03 5.8661e+03 2.9962e+02 2.9962e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9200e+00 3.1000e+07 5.8315e+02 5.9801e+03 1.8725e-08 0.0000e+00 1.0000e+00 5.9801e+03 5.9801e+03 3.0545e+02 3.0545e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9400e+00 3.2000e+07 5.8315e+02 6.0901e+03 1.7751e-08 0.0000e+00 1.0000e+00 6.0901e+03 6.0901e+03 3.1107e+02 3.1107e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9600e+00 3.3000e+07 5.8315e+02 6.1964e+03 1.6856e-08 0.0000e+00 1.0000e+00 6.1964e+03 6.1964e+03 3.1649e+02 3.1649e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9800e+00 3.4000e+07 5.8315e+02 6.2991e+03 1.6030e-08 0.0000e+00 1.0000e+00 6.2991e+03 6.2991e+03 3.2174e+02 3.2174e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e+00 3.5000e+07 5.8315e+02 6.3984e+03 1.5268e-08 0.0000e+00 1.0000e+00 6.3984e+03 6.3984e+03 3.2681e+02 3.2681e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPRLBC.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPRLBC.txt new file mode 100644 index 00000000000..9094419bc8a --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPRLBC.txt @@ -0,0 +1,1012 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.8078e+03 1.3932e-08 1.0000e+00 0.0000e+00 6.8078e+03 6.8078e+03 3.4772e+02 3.4772e+02 4.5175e-05 4.5175e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-03 3.4900e+07 5.5315e+02 6.7983e+03 1.4001e-08 1.0000e+00 0.0000e+00 6.7983e+03 6.7983e+03 3.4724e+02 3.4724e+02 4.5093e-05 4.5093e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-03 3.4800e+07 5.5315e+02 6.7887e+03 1.4069e-08 1.0000e+00 0.0000e+00 6.7887e+03 6.7887e+03 3.4675e+02 3.4675e+02 4.5010e-05 4.5010e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +6.0000e-03 3.4700e+07 5.5315e+02 6.7792e+03 1.4138e-08 1.0000e+00 0.0000e+00 6.7792e+03 6.7792e+03 3.4626e+02 3.4626e+02 4.4928e-05 4.4928e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +8.0000e-03 3.4600e+07 5.5315e+02 6.7696e+03 1.4208e-08 1.0000e+00 0.0000e+00 6.7696e+03 6.7696e+03 3.4577e+02 3.4577e+02 4.4845e-05 4.4845e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.0000e-02 3.4500e+07 5.5315e+02 6.7599e+03 1.4278e-08 1.0000e+00 0.0000e+00 6.7599e+03 6.7599e+03 3.4528e+02 3.4528e+02 4.4762e-05 4.4762e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.2000e-02 3.4400e+07 5.5315e+02 6.7503e+03 1.4349e-08 1.0000e+00 0.0000e+00 6.7503e+03 6.7503e+03 3.4479e+02 3.4479e+02 4.4679e-05 4.4679e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.4000e-02 3.4300e+07 5.5315e+02 6.7406e+03 1.4421e-08 1.0000e+00 0.0000e+00 6.7406e+03 6.7406e+03 3.4429e+02 3.4429e+02 4.4596e-05 4.4596e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.6000e-02 3.4200e+07 5.5315e+02 6.7308e+03 1.4493e-08 1.0000e+00 0.0000e+00 6.7308e+03 6.7308e+03 3.4379e+02 3.4379e+02 4.4513e-05 4.4513e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.8000e-02 3.4100e+07 5.5315e+02 6.7211e+03 1.4566e-08 1.0000e+00 0.0000e+00 6.7211e+03 6.7211e+03 3.4329e+02 3.4329e+02 4.4430e-05 4.4430e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.7113e+03 1.4639e-08 1.0000e+00 0.0000e+00 6.7113e+03 6.7113e+03 3.4279e+02 3.4279e+02 4.4346e-05 4.4346e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.2000e-02 3.3900e+07 5.5315e+02 6.7014e+03 1.4713e-08 1.0000e+00 0.0000e+00 6.7014e+03 6.7014e+03 3.4229e+02 3.4229e+02 4.4263e-05 4.4263e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 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5.8315e+02 6.2991e+03 1.6030e-08 0.0000e+00 1.0000e+00 6.2991e+03 6.2991e+03 3.2174e+02 3.2174e+02 4.1589e-05 4.1589e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9820e+00 3.4100e+07 5.8315e+02 6.3091e+03 1.5951e-08 0.0000e+00 1.0000e+00 6.3091e+03 6.3091e+03 3.2225e+02 3.2225e+02 4.1668e-05 4.1668e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9840e+00 3.4200e+07 5.8315e+02 6.3192e+03 1.5873e-08 0.0000e+00 1.0000e+00 6.3192e+03 6.3192e+03 3.2277e+02 3.2277e+02 4.1747e-05 4.1747e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9860e+00 3.4300e+07 5.8315e+02 6.3292e+03 1.5795e-08 0.0000e+00 1.0000e+00 6.3292e+03 6.3292e+03 3.2328e+02 3.2328e+02 4.1826e-05 4.1826e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9880e+00 3.4400e+07 5.8315e+02 6.3392e+03 1.5718e-08 0.0000e+00 1.0000e+00 6.3392e+03 6.3392e+03 3.2379e+02 3.2379e+02 4.1905e-05 4.1905e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9900e+00 3.4500e+07 5.8315e+02 6.3491e+03 1.5642e-08 0.0000e+00 1.0000e+00 6.3491e+03 6.3491e+03 3.2430e+02 3.2430e+02 4.1983e-05 4.1983e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9920e+00 3.4600e+07 5.8315e+02 6.3590e+03 1.5566e-08 0.0000e+00 1.0000e+00 6.3590e+03 6.3590e+03 3.2480e+02 3.2480e+02 4.2062e-05 4.2062e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9940e+00 3.4700e+07 5.8315e+02 6.3689e+03 1.5490e-08 0.0000e+00 1.0000e+00 6.3689e+03 6.3689e+03 3.2531e+02 3.2531e+02 4.2141e-05 4.2141e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9960e+00 3.4800e+07 5.8315e+02 6.3788e+03 1.5416e-08 0.0000e+00 1.0000e+00 6.3788e+03 6.3788e+03 3.2581e+02 3.2581e+02 4.2219e-05 4.2219e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9980e+00 3.4900e+07 5.8315e+02 6.3886e+03 1.5342e-08 0.0000e+00 1.0000e+00 6.3886e+03 6.3886e+03 3.2631e+02 3.2631e+02 4.2297e-05 4.2297e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e+00 3.5000e+07 5.8315e+02 6.3984e+03 1.5268e-08 0.0000e+00 1.0000e+00 6.3984e+03 6.3984e+03 3.2681e+02 3.2681e+02 4.2375e-05 4.2375e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRK.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRK.txt new file mode 100644 index 00000000000..b2034f4c56a --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRK.txt @@ -0,0 +1,112 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.3045e+03 1.3265e-08 1.0000e+00 0.0000e+00 6.3045e+03 6.3045e+03 3.2202e+02 3.2202e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.2193e+03 1.3936e-08 1.0000e+00 0.0000e+00 6.2193e+03 6.2193e+03 3.1767e+02 3.1767e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-02 3.3000e+07 5.5315e+02 6.1311e+03 1.4665e-08 1.0000e+00 0.0000e+00 6.1311e+03 6.1311e+03 3.1316e+02 3.1316e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +6.0000e-02 3.2000e+07 5.5315e+02 6.0394e+03 1.5459e-08 1.0000e+00 0.0000e+00 6.0394e+03 6.0394e+03 3.0848e+02 3.0848e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +8.0000e-02 3.1000e+07 5.5315e+02 5.9442e+03 1.6327e-08 1.0000e+00 0.0000e+00 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1.6949e-08 0.0000e+00 1.0000e+00 5.6739e+03 5.6739e+03 2.8981e+02 2.8981e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9600e+00 3.3000e+07 5.8315e+02 5.7684e+03 1.6090e-08 0.0000e+00 1.0000e+00 5.7684e+03 5.7684e+03 2.9463e+02 2.9463e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9800e+00 3.4000e+07 5.8315e+02 5.8596e+03 1.5299e-08 0.0000e+00 1.0000e+00 5.8596e+03 5.8596e+03 2.9929e+02 2.9929e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e+00 3.5000e+07 5.8315e+02 5.9477e+03 1.4569e-08 0.0000e+00 1.0000e+00 5.9477e+03 5.9477e+03 3.0379e+02 3.0379e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRKLBC.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRKLBC.txt new file mode 100644 index 00000000000..aad47b3119c --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRKLBC.txt @@ -0,0 +1,1012 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.3045e+03 1.3265e-08 1.0000e+00 0.0000e+00 6.3045e+03 6.3045e+03 3.2202e+02 3.2202e+02 4.1026e-05 4.1026e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-03 3.4900e+07 5.5315e+02 6.2961e+03 1.3330e-08 1.0000e+00 0.0000e+00 6.2961e+03 6.2961e+03 3.2159e+02 3.2159e+02 4.0960e-05 4.0960e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-03 3.4800e+07 5.5315e+02 6.2877e+03 1.3395e-08 1.0000e+00 0.0000e+00 6.2877e+03 6.2877e+03 3.2116e+02 3.2116e+02 4.0894e-05 4.0894e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +6.0000e-03 3.4700e+07 5.5315e+02 6.2792e+03 1.3461e-08 1.0000e+00 0.0000e+00 6.2792e+03 6.2792e+03 3.2073e+02 3.2073e+02 4.0828e-05 4.0828e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +8.0000e-03 3.4600e+07 5.5315e+02 6.2708e+03 1.3527e-08 1.0000e+00 0.0000e+00 6.2708e+03 6.2708e+03 3.2029e+02 3.2029e+02 4.0762e-05 4.0762e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.0000e-02 3.4500e+07 5.5315e+02 6.2623e+03 1.3594e-08 1.0000e+00 0.0000e+00 6.2623e+03 6.2623e+03 3.1986e+02 3.1986e+02 4.0696e-05 4.0696e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.2000e-02 3.4400e+07 5.5315e+02 6.2537e+03 1.3661e-08 1.0000e+00 0.0000e+00 6.2537e+03 6.2537e+03 3.1942e+02 3.1942e+02 4.0629e-05 4.0629e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.4000e-02 3.4300e+07 5.5315e+02 6.2452e+03 1.3729e-08 1.0000e+00 0.0000e+00 6.2452e+03 6.2452e+03 3.1899e+02 3.1899e+02 4.0563e-05 4.0563e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.6000e-02 3.4200e+07 5.5315e+02 6.2366e+03 1.3797e-08 1.0000e+00 0.0000e+00 6.2366e+03 6.2366e+03 3.1855e+02 3.1855e+02 4.0496e-05 4.0496e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.8000e-02 3.4100e+07 5.5315e+02 6.2280e+03 1.3866e-08 1.0000e+00 0.0000e+00 6.2280e+03 6.2280e+03 3.1811e+02 3.1811e+02 4.0429e-05 4.0429e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.2193e+03 1.3936e-08 1.0000e+00 0.0000e+00 6.2193e+03 6.2193e+03 3.1767e+02 3.1767e+02 4.0362e-05 4.0362e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.2000e-02 3.3900e+07 5.5315e+02 6.2106e+03 1.4006e-08 1.0000e+00 0.0000e+00 6.2106e+03 6.2106e+03 3.1722e+02 3.1722e+02 4.0295e-05 4.0295e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.4000e-02 3.3800e+07 5.5315e+02 6.2019e+03 1.4077e-08 1.0000e+00 0.0000e+00 6.2019e+03 6.2019e+03 3.1678e+02 3.1678e+02 4.0228e-05 4.0228e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.6000e-02 3.3700e+07 5.5315e+02 6.1932e+03 1.4148e-08 1.0000e+00 0.0000e+00 6.1932e+03 6.1932e+03 3.1633e+02 3.1633e+02 4.0160e-05 4.0160e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.8000e-02 3.3600e+07 5.5315e+02 6.1844e+03 1.4220e-08 1.0000e+00 0.0000e+00 6.1844e+03 6.1844e+03 3.1588e+02 3.1588e+02 4.0093e-05 4.0093e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +3.0000e-02 3.3500e+07 5.5315e+02 6.1756e+03 1.4293e-08 1.0000e+00 0.0000e+00 6.1756e+03 6.1756e+03 3.1543e+02 3.1543e+02 4.0025e-05 4.0025e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +3.2000e-02 3.3400e+07 5.5315e+02 6.1668e+03 1.4366e-08 1.0000e+00 0.0000e+00 6.1668e+03 6.1668e+03 3.1498e+02 3.1498e+02 3.9957e-05 3.9957e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +3.4000e-02 3.3300e+07 5.5315e+02 6.1579e+03 1.4440e-08 1.0000e+00 0.0000e+00 6.1579e+03 6.1579e+03 3.1453e+02 3.1453e+02 3.9889e-05 3.9889e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +3.6000e-02 3.3200e+07 5.5315e+02 6.1490e+03 1.4514e-08 1.0000e+00 0.0000e+00 6.1490e+03 6.1490e+03 3.1407e+02 3.1407e+02 3.9821e-05 3.9821e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +3.8000e-02 3.3100e+07 5.5315e+02 6.1400e+03 1.4589e-08 1.0000e+00 0.0000e+00 6.1400e+03 6.1400e+03 3.1362e+02 3.1362e+02 3.9753e-05 3.9753e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-02 3.3000e+07 5.5315e+02 6.1311e+03 1.4665e-08 1.0000e+00 0.0000e+00 6.1311e+03 6.1311e+03 3.1316e+02 3.1316e+02 3.9684e-05 3.9684e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.2000e-02 3.2900e+07 5.5315e+02 6.1220e+03 1.4741e-08 1.0000e+00 0.0000e+00 6.1220e+03 6.1220e+03 3.1270e+02 3.1270e+02 3.9616e-05 3.9616e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.4000e-02 3.2800e+07 5.5315e+02 6.1130e+03 1.4818e-08 1.0000e+00 0.0000e+00 6.1130e+03 6.1130e+03 3.1224e+02 3.1224e+02 3.9547e-05 3.9547e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.6000e-02 3.2700e+07 5.5315e+02 6.1039e+03 1.4896e-08 1.0000e+00 0.0000e+00 6.1039e+03 6.1039e+03 3.1177e+02 3.1177e+02 3.9478e-05 3.9478e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.8000e-02 3.2600e+07 5.5315e+02 6.0948e+03 1.4974e-08 1.0000e+00 0.0000e+00 6.0948e+03 6.0948e+03 3.1131e+02 3.1131e+02 3.9409e-05 3.9409e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +5.0000e-02 3.2500e+07 5.5315e+02 6.0857e+03 1.5053e-08 1.0000e+00 0.0000e+00 6.0857e+03 6.0857e+03 3.1084e+02 3.1084e+02 3.9340e-05 3.9340e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +5.2000e-02 3.2400e+07 5.5315e+02 6.0765e+03 1.5133e-08 1.0000e+00 0.0000e+00 6.0765e+03 6.0765e+03 3.1037e+02 3.1037e+02 3.9270e-05 3.9270e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +5.4000e-02 3.2300e+07 5.5315e+02 6.0673e+03 1.5213e-08 1.0000e+00 0.0000e+00 6.0673e+03 6.0673e+03 3.0990e+02 3.0990e+02 3.9201e-05 3.9201e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +5.6000e-02 3.2200e+07 5.5315e+02 6.0580e+03 1.5295e-08 1.0000e+00 0.0000e+00 6.0580e+03 6.0580e+03 3.0943e+02 3.0943e+02 3.9131e-05 3.9131e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 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73517d48697..90a6a194047 100644 --- a/src/docs/sphinx/CompleteXMLSchema.rst +++ b/src/docs/sphinx/CompleteXMLSchema.rst @@ -227,18 +227,32 @@ Element: CompositionalMultiphaseWell .. include:: ../../coreComponents/schema/docs/CompositionalMultiphaseWell.rst -.. _XML_CompositonalTwoPhaseFluidPengRobinson: +.. _XML_CompositionalTwoPhaseFluidPengRobinson: -Element: CompositonalTwoPhaseFluidPengRobinson -============================================== -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson.rst +Element: CompositionalTwoPhaseFluidPengRobinson +=============================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson.rst -.. _XML_CompositonalTwoPhaseFluidSoaveRedlichKwong: +.. _XML_CompositionalTwoPhaseFluidPengRobinsonLBC: -Element: CompositonalTwoPhaseFluidSoaveRedlichKwong -=================================================== -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong.rst +Element: CompositionalTwoPhaseFluidPengRobinsonLBC +================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC.rst + + +.. _XML_CompositionalTwoPhaseFluidSoaveRedlichKwong: + +Element: CompositionalTwoPhaseFluidSoaveRedlichKwong +==================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst + + +.. _XML_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC: + +Element: CompositionalTwoPhaseFluidSoaveRedlichKwongLBC +======================================================= +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst .. _XML_CompressibleSinglePhaseFluid: @@ -1631,18 +1645,32 @@ Datastructure: CompositionalMultiphaseWell .. include:: ../../coreComponents/schema/docs/CompositionalMultiphaseWell_other.rst -.. _DATASTRUCTURE_CompositonalTwoPhaseFluidPengRobinson: +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinson: -Datastructure: CompositonalTwoPhaseFluidPengRobinson -==================================================== -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst +Datastructure: CompositionalTwoPhaseFluidPengRobinson +===================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst -.. _DATASTRUCTURE_CompositonalTwoPhaseFluidSoaveRedlichKwong: +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinsonLBC: -Datastructure: CompositonalTwoPhaseFluidSoaveRedlichKwong -========================================================= -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst +Datastructure: CompositionalTwoPhaseFluidPengRobinsonLBC +======================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst + + +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwong: + +Datastructure: CompositionalTwoPhaseFluidSoaveRedlichKwong +========================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst + + +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC: + +Datastructure: CompositionalTwoPhaseFluidSoaveRedlichKwongLBC +============================================================= +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst .. _DATASTRUCTURE_CompressibleSinglePhaseFluid: