https://mooseframework.inl.gov
Public Types | Public Member Functions | Static Public Member Functions | Public Attributes | Static Public Attributes | Protected Member Functions | Static Protected Member Functions | Protected Attributes | Static Protected Attributes | List of all members
PorousFlowFluidStateMultiComponentBase Class Referenceabstract

Compositional flash routines for miscible multiphase flow classes with multiple fluid components. More...

#include <PorousFlowFluidStateMultiComponentBase.h>

Inheritance diagram for PorousFlowFluidStateMultiComponentBase:
[legend]

Public Types

typedef DataFileName DataFileParameterType
 

Public Member Functions

 PorousFlowFluidStateMultiComponentBase (const InputParameters &parameters)
 
unsigned int aqueousComponentIndex () const
 The index of the aqueous fluid component. More...
 
unsigned int gasComponentIndex () const
 The index of the gas fluid component. More...
 
unsigned int saltComponentIndex () const
 The index of the salt component. More...
 
void phaseState (Real Zi, Real Xi, Real Yi, FluidStatePhaseEnum &phase_state) const
 Determines the phase state gven the total mass fraction and equilibrium mass fractions. More...
 
virtual void thermophysicalProperties (Real pressure, Real temperature, Real Xnacl, Real Z, unsigned int qp, std::vector< FluidStateProperties > &fsp) const =0
 Determines the complete thermophysical state of the system for a given set of primary variables. More...
 
virtual void thermophysicalProperties (const ADReal &pressure, const ADReal &temperature, const ADReal &Xnacl, const ADReal &Z, unsigned int qp, std::vector< FluidStateProperties > &fsp) const =0
 
virtual Real totalMassFraction (Real pressure, Real temperature, Real Xnacl, Real saturation, unsigned int qp) const =0
 Total mass fraction of fluid component summed over all phases in the two-phase state for a specified gas saturation. More...
 
unsigned int getPressureIndex () const
 
unsigned int getTemperatureIndex () const
 
unsigned int getZIndex () const
 
unsigned int getXIndex () const
 
Real rachfordRice (Real vf, std::vector< Real > &Zi, std::vector< Real > &Ki) const
 Rachford-Rice equation for vapor fraction. More...
 
Real rachfordRiceDeriv (Real vf, std::vector< Real > &Zi, std::vector< Real > &Ki) const
 Derivative of Rachford-Rice equation wrt vapor fraction. More...
 
Real vaporMassFraction (Real Z0, Real K0, Real K1) const
 Solves Rachford-Rice equation to provide vapor mass fraction. More...
 
ADReal vaporMassFraction (const ADReal &Z0, const ADReal &K0, const ADReal &K1) const
 
Real vaporMassFraction (std::vector< Real > &Zi, std::vector< Real > &Ki) const
 
void initialize () final
 
void execute () final
 
void finalize () final
 
unsigned int numPhases () const
 The maximum number of phases in this model. More...
 
unsigned int numComponents () const
 The maximum number of components in this model. More...
 
unsigned int aqueousPhaseIndex () const
 The index of the aqueous phase. More...
 
unsigned int gasPhaseIndex () const
 The index of the gas phase. More...
 
virtual std::string fluidStateName () const =0
 Name of FluidState. More...
 
void clearFluidStateProperties (std::vector< FluidStateProperties > &fsp) const
 Clears the contents of the FluidStateProperties data structure. More...
 
SubProblem & getSubProblem () const
 
bool shouldDuplicateInitialExecution () const
 
virtual Real spatialValue (const Point &) const
 
virtual const std::vector< Point > spatialPoints () const
 
void gatherSum (T &value)
 
void gatherMax (T &value)
 
void gatherMin (T &value)
 
void gatherProxyValueMax (T1 &proxy, T2 &value)
 
void gatherProxyValueMin (T1 &proxy, T2 &value)
 
void setPrimaryThreadCopy (UserObject *primary)
 
UserObject * primaryThreadCopy ()
 
std::set< UserObjectName > getDependObjects () const
 
virtual bool needThreadedCopy () const
 
const std::set< std::string > & getRequestedItems () override
 
const std::set< std::string > & getSuppliedItems () override
 
unsigned int systemNumber () const
 
virtual bool enabled () const
 
std::shared_ptr< MooseObject > getSharedPtr ()
 
std::shared_ptr< const MooseObject > getSharedPtr () const
 
MooseApp & getMooseApp () const
 
const std::string & type () const
 
virtual const std::string & name () const
 
std::string typeAndName () const
 
std::string errorPrefix (const std::string &error_type) const
 
void callMooseError (std::string msg, const bool with_prefix) const
 
MooseObjectParameterName uniqueParameterName (const std::string &parameter_name) const
 
const InputParameters & parameters () const
 
MooseObjectName uniqueName () const
 
const T & getParam (const std::string &name) const
 
std::vector< std::pair< T1, T2 > > getParam (const std::string &param1, const std::string &param2) const
 
const T * queryParam (const std::string &name) const
 
const T & getRenamedParam (const std::string &old_name, const std::string &new_name) const
 
T getCheckedPointerParam (const std::string &name, const std::string &error_string="") const
 
bool isParamValid (const std::string &name) const
 
bool isParamSetByUser (const std::string &nm) const
 
void paramError (const std::string &param, Args... args) const
 
void paramWarning (const std::string &param, Args... args) const
 
void paramInfo (const std::string &param, Args... args) const
 
void connectControllableParams (const std::string &parameter, const std::string &object_type, const std::string &object_name, const std::string &object_parameter) const
 
void mooseError (Args &&... args) const
 
void mooseErrorNonPrefixed (Args &&... args) const
 
void mooseDocumentedError (const std::string &repo_name, const unsigned int issue_num, Args &&... args) const
 
void mooseWarning (Args &&... args) const
 
void mooseWarningNonPrefixed (Args &&... args) const
 
void mooseDeprecated (Args &&... args) const
 
void mooseInfo (Args &&... args) const
 
std::string getDataFileName (const std::string &param) const
 
std::string getDataFileNameByName (const std::string &relative_path) const
 
std::string getDataFilePath (const std::string &relative_path) const
 
virtual void initialSetup ()
 
virtual void timestepSetup ()
 
virtual void jacobianSetup ()
 
virtual void residualSetup ()
 
virtual void customSetup (const ExecFlagType &)
 
const ExecFlagEnum & getExecuteOnEnum () const
 
UserObjectName getUserObjectName (const std::string &param_name) const
 
const T & getUserObject (const std::string &param_name, bool is_dependency=true) const
 
const T & getUserObjectByName (const UserObjectName &object_name, bool is_dependency=true) const
 
const UserObject & getUserObjectBase (const std::string &param_name, bool is_dependency=true) const
 
const UserObject & getUserObjectBaseByName (const UserObjectName &object_name, bool is_dependency=true) const
 
const std::vector< MooseVariableScalar *> & getCoupledMooseScalarVars ()
 
const std::set< TagID > & getScalarVariableCoupleableVectorTags () const
 
const std::set< TagID > & getScalarVariableCoupleableMatrixTags () const
 
const GenericMaterialProperty< T, is_ad > & getGenericMaterialProperty (const std::string &name, MaterialData &material_data, const unsigned int state=0)
 
const GenericMaterialProperty< T, is_ad > & getGenericMaterialProperty (const std::string &name, const unsigned int state=0)
 
const GenericMaterialProperty< T, is_ad > & getGenericMaterialProperty (const std::string &name, const unsigned int state=0)
 
const MaterialProperty< T > & getMaterialProperty (const std::string &name, MaterialData &material_data, const unsigned int state=0)
 
const MaterialProperty< T > & getMaterialProperty (const std::string &name, const unsigned int state=0)
 
const MaterialProperty< T > & getMaterialProperty (const std::string &name, const unsigned int state=0)
 
const ADMaterialProperty< T > & getADMaterialProperty (const std::string &name, MaterialData &material_data)
 
const ADMaterialProperty< T > & getADMaterialProperty (const std::string &name)
 
const ADMaterialProperty< T > & getADMaterialProperty (const std::string &name)
 
const MaterialProperty< T > & getMaterialPropertyOld (const std::string &name, MaterialData &material_data)
 
const MaterialProperty< T > & getMaterialPropertyOld (const std::string &name)
 
const MaterialProperty< T > & getMaterialPropertyOld (const std::string &name)
 
const MaterialProperty< T > & getMaterialPropertyOlder (const std::string &name, MaterialData &material_data)
 
const MaterialProperty< T > & getMaterialPropertyOlder (const std::string &name)
 
const MaterialProperty< T > & getMaterialPropertyOlder (const std::string &name)
 
const GenericMaterialProperty< T, is_ad > & getGenericMaterialPropertyByName (const MaterialPropertyName &name, MaterialData &material_data, const unsigned int state)
 
const GenericMaterialProperty< T, is_ad > & getGenericMaterialPropertyByName (const MaterialPropertyName &name, const unsigned int state=0)
 
const GenericMaterialProperty< T, is_ad > & getGenericMaterialPropertyByName (const MaterialPropertyName &name, const unsigned int state=0)
 
const MaterialProperty< T > & getMaterialPropertyByName (const MaterialPropertyName &name, MaterialData &material_data, const unsigned int state=0)
 
const MaterialProperty< T > & getMaterialPropertyByName (const MaterialPropertyName &name, const unsigned int state=0)
 
const MaterialProperty< T > & getMaterialPropertyByName (const MaterialPropertyName &name, const unsigned int state=0)
 
const ADMaterialProperty< T > & getADMaterialPropertyByName (const MaterialPropertyName &name, MaterialData &material_data)
 
const ADMaterialProperty< T > & getADMaterialPropertyByName (const MaterialPropertyName &name)
 
const ADMaterialProperty< T > & getADMaterialPropertyByName (const MaterialPropertyName &name)
 
const MaterialProperty< T > & getMaterialPropertyOldByName (const MaterialPropertyName &name, MaterialData &material_data)
 
const MaterialProperty< T > & getMaterialPropertyOldByName (const MaterialPropertyName &name)
 
const MaterialProperty< T > & getMaterialPropertyOldByName (const MaterialPropertyName &name)
 
const MaterialProperty< T > & getMaterialPropertyOlderByName (const MaterialPropertyName &name, MaterialData &material_data)
 
const MaterialProperty< T > & getMaterialPropertyOlderByName (const MaterialPropertyName &name)
 
const MaterialProperty< T > & getMaterialPropertyOlderByName (const MaterialPropertyName &name)
 
std::pair< const MaterialProperty< T > *, std::set< SubdomainID > > getBlockMaterialProperty (const MaterialPropertyName &name)
 
const GenericMaterialProperty< T, is_ad > & getGenericZeroMaterialProperty (const std::string &name)
 
const GenericMaterialProperty< T, is_ad > & getGenericZeroMaterialProperty ()
 
const GenericMaterialProperty< T, is_ad > & getGenericZeroMaterialPropertyByName (const std::string &prop_name)
 
const MaterialProperty< T > & getZeroMaterialProperty (Ts... args)
 
std::set< SubdomainID > getMaterialPropertyBlocks (const std::string &name)
 
std::vector< SubdomainName > getMaterialPropertyBlockNames (const std::string &name)
 
std::set< BoundaryID > getMaterialPropertyBoundaryIDs (const std::string &name)
 
std::vector< BoundaryName > getMaterialPropertyBoundaryNames (const std::string &name)
 
void checkBlockAndBoundaryCompatibility (std::shared_ptr< MaterialBase > discrete)
 
std::unordered_map< SubdomainID, std::vector< MaterialBase *> > buildRequiredMaterials (bool allow_stateful=true)
 
void statefulPropertiesAllowed (bool)
 
bool getMaterialPropertyCalled () const
 
virtual const std::unordered_set< unsigned int > & getMatPropDependencies () const
 
virtual void resolveOptionalProperties ()
 
const GenericMaterialProperty< T, is_ad > & getPossiblyConstantGenericMaterialPropertyByName (const MaterialPropertyName &prop_name, MaterialData &material_data, const unsigned int state)
 
bool isImplicit ()
 
Moose::StateArg determineState () const
 
virtual void threadJoin (const UserObject &) override
 
virtual void threadJoin (const UserObject &) override
 
virtual void subdomainSetup () override
 
virtual void subdomainSetup () override
 
bool hasUserObject (const std::string &param_name) const
 
bool hasUserObject (const std::string &param_name) const
 
bool hasUserObject (const std::string &param_name) const
 
bool hasUserObject (const std::string &param_name) const
 
bool hasUserObjectByName (const UserObjectName &object_name) const
 
bool hasUserObjectByName (const UserObjectName &object_name) const
 
bool hasUserObjectByName (const UserObjectName &object_name) const
 
bool hasUserObjectByName (const UserObjectName &object_name) const
 
const GenericOptionalMaterialProperty< T, is_ad > & getGenericOptionalMaterialProperty (const std::string &name, const unsigned int state=0)
 
const GenericOptionalMaterialProperty< T, is_ad > & getGenericOptionalMaterialProperty (const std::string &name, const unsigned int state=0)
 
const OptionalMaterialProperty< T > & getOptionalMaterialProperty (const std::string &name, const unsigned int state=0)
 
const OptionalMaterialProperty< T > & getOptionalMaterialProperty (const std::string &name, const unsigned int state=0)
 
const OptionalADMaterialProperty< T > & getOptionalADMaterialProperty (const std::string &name)
 
const OptionalADMaterialProperty< T > & getOptionalADMaterialProperty (const std::string &name)
 
const OptionalMaterialProperty< T > & getOptionalMaterialPropertyOld (const std::string &name)
 
const OptionalMaterialProperty< T > & getOptionalMaterialPropertyOld (const std::string &name)
 
const OptionalMaterialProperty< T > & getOptionalMaterialPropertyOlder (const std::string &name)
 
const OptionalMaterialProperty< T > & getOptionalMaterialPropertyOlder (const std::string &name)
 
MaterialBase & getMaterial (const std::string &name)
 
MaterialBase & getMaterial (const std::string &name)
 
MaterialBase & getMaterialByName (const std::string &name, bool no_warn=false)
 
MaterialBase & getMaterialByName (const std::string &name, bool no_warn=false)
 
bool hasMaterialProperty (const std::string &name)
 
bool hasMaterialProperty (const std::string &name)
 
bool hasMaterialPropertyByName (const std::string &name)
 
bool hasMaterialPropertyByName (const std::string &name)
 
bool hasADMaterialProperty (const std::string &name)
 
bool hasADMaterialProperty (const std::string &name)
 
bool hasADMaterialPropertyByName (const std::string &name)
 
bool hasADMaterialPropertyByName (const std::string &name)
 
bool hasGenericMaterialProperty (const std::string &name)
 
bool hasGenericMaterialProperty (const std::string &name)
 
bool hasGenericMaterialPropertyByName (const std::string &name)
 
bool hasGenericMaterialPropertyByName (const std::string &name)
 
const Function & getFunction (const std::string &name) const
 
const Function & getFunctionByName (const FunctionName &name) const
 
bool hasFunction (const std::string &param_name) const
 
bool hasFunctionByName (const FunctionName &name) const
 
bool isDefaultPostprocessorValue (const std::string &param_name, const unsigned int index=0) const
 
bool hasPostprocessor (const std::string &param_name, const unsigned int index=0) const
 
bool hasPostprocessorByName (const PostprocessorName &name) const
 
std::size_t coupledPostprocessors (const std::string &param_name) const
 
const PostprocessorName & getPostprocessorName (const std::string &param_name, const unsigned int index=0) const
 
const VectorPostprocessorValue & getVectorPostprocessorValue (const std::string &param_name, const std::string &vector_name) const
 
const VectorPostprocessorValue & getVectorPostprocessorValue (const std::string &param_name, const std::string &vector_name, bool needs_broadcast) const
 
const VectorPostprocessorValue & getVectorPostprocessorValueByName (const VectorPostprocessorName &name, const std::string &vector_name) const
 
const VectorPostprocessorValue & getVectorPostprocessorValueByName (const VectorPostprocessorName &name, const std::string &vector_name, bool needs_broadcast) const
 
const VectorPostprocessorValue & getVectorPostprocessorValueOld (const std::string &param_name, const std::string &vector_name) const
 
const VectorPostprocessorValue & getVectorPostprocessorValueOld (const std::string &param_name, const std::string &vector_name, bool needs_broadcast) const
 
const VectorPostprocessorValue & getVectorPostprocessorValueOldByName (const VectorPostprocessorName &name, const std::string &vector_name) const
 
const VectorPostprocessorValue & getVectorPostprocessorValueOldByName (const VectorPostprocessorName &name, const std::string &vector_name, bool needs_broadcast) const
 
const ScatterVectorPostprocessorValue & getScatterVectorPostprocessorValue (const std::string &param_name, const std::string &vector_name) const
 
const ScatterVectorPostprocessorValue & getScatterVectorPostprocessorValueByName (const VectorPostprocessorName &name, const std::string &vector_name) const
 
const ScatterVectorPostprocessorValue & getScatterVectorPostprocessorValueOld (const std::string &param_name, const std::string &vector_name) const
 
const ScatterVectorPostprocessorValue & getScatterVectorPostprocessorValueOldByName (const VectorPostprocessorName &name, const std::string &vector_name) const
 
bool hasVectorPostprocessor (const std::string &param_name, const std::string &vector_name) const
 
bool hasVectorPostprocessor (const std::string &param_name) const
 
bool hasVectorPostprocessorByName (const VectorPostprocessorName &name, const std::string &vector_name) const
 
bool hasVectorPostprocessorByName (const VectorPostprocessorName &name) const
 
const VectorPostprocessorName & getVectorPostprocessorName (const std::string &param_name) const
 
T & getSampler (const std::string &name)
 
Sampler & getSampler (const std::string &name)
 
T & getSamplerByName (const SamplerName &name)
 
Sampler & getSamplerByName (const SamplerName &name)
 
virtual void meshChanged ()
 
virtual void meshDisplaced ()
 
PerfGraph & perfGraph ()
 
const PostprocessorValue & getPostprocessorValue (const std::string &param_name, const unsigned int index=0) const
 
const PostprocessorValue & getPostprocessorValue (const std::string &param_name, const unsigned int index=0) const
 
const PostprocessorValue & getPostprocessorValueOld (const std::string &param_name, const unsigned int index=0) const
 
const PostprocessorValue & getPostprocessorValueOld (const std::string &param_name, const unsigned int index=0) const
 
const PostprocessorValue & getPostprocessorValueOlder (const std::string &param_name, const unsigned int index=0) const
 
const PostprocessorValue & getPostprocessorValueOlder (const std::string &param_name, const unsigned int index=0) const
 
virtual const PostprocessorValue & getPostprocessorValueByName (const PostprocessorName &name) const
 
virtual const PostprocessorValue & getPostprocessorValueByName (const PostprocessorName &name) const
 
const PostprocessorValue & getPostprocessorValueOldByName (const PostprocessorName &name) const
 
const PostprocessorValue & getPostprocessorValueOldByName (const PostprocessorName &name) const
 
const PostprocessorValue & getPostprocessorValueOlderByName (const PostprocessorName &name) const
 
const PostprocessorValue & getPostprocessorValueOlderByName (const PostprocessorName &name) const
 
bool isVectorPostprocessorDistributed (const std::string &param_name) const
 
bool isVectorPostprocessorDistributed (const std::string &param_name) const
 
bool isVectorPostprocessorDistributedByName (const VectorPostprocessorName &name) const
 
bool isVectorPostprocessorDistributedByName (const VectorPostprocessorName &name) const
 
const Distribution & getDistribution (const std::string &name) const
 
const T & getDistribution (const std::string &name) const
 
const Distribution & getDistribution (const std::string &name) const
 
const T & getDistribution (const std::string &name) const
 
const Distribution & getDistributionByName (const DistributionName &name) const
 
const T & getDistributionByName (const std::string &name) const
 
const Distribution & getDistributionByName (const DistributionName &name) const
 
const T & getDistributionByName (const std::string &name) const
 
const Parallel::Communicator & comm () const
 
processor_id_type n_processors () const
 
processor_id_type processor_id () const
 

Static Public Member Functions

static InputParameters validParams ()
 
static void sort (typename std::vector< T > &vector)
 
static void sortDFS (typename std::vector< T > &vector)
 
static void cyclicDependencyError (CyclicDependencyException< T2 > &e, const std::string &header)
 

Public Attributes

const ConsoleStream _console
 

Static Public Attributes

static constexpr PropertyValue::id_type default_property_id
 
static constexpr PropertyValue::id_type zero_property_id
 
static constexpr auto SYSTEM
 
static constexpr auto NAME
 

Protected Member Functions

virtual void addPostprocessorDependencyHelper (const PostprocessorName &name) const override
 
virtual void addVectorPostprocessorDependencyHelper (const VectorPostprocessorName &name) const override
 
virtual void addUserObjectDependencyHelper (const UserObject &uo) const override
 
void addReporterDependencyHelper (const ReporterName &reporter_name) override
 
const ReporterName & getReporterName (const std::string &param_name) const
 
T & declareRestartableData (const std::string &data_name, Args &&... args)
 
ManagedValue< T > declareManagedRestartableDataWithContext (const std::string &data_name, void *context, Args &&... args)
 
const T & getRestartableData (const std::string &data_name) const
 
T & declareRestartableDataWithContext (const std::string &data_name, void *context, Args &&... args)
 
T & declareRecoverableData (const std::string &data_name, Args &&... args)
 
T & declareRestartableDataWithObjectName (const std::string &data_name, const std::string &object_name, Args &&... args)
 
T & declareRestartableDataWithObjectNameWithContext (const std::string &data_name, const std::string &object_name, void *context, Args &&... args)
 
std::string restartableName (const std::string &data_name) const
 
const T & getMeshProperty (const std::string &data_name, const std::string &prefix)
 
const T & getMeshProperty (const std::string &data_name)
 
bool hasMeshProperty (const std::string &data_name, const std::string &prefix) const
 
bool hasMeshProperty (const std::string &data_name, const std::string &prefix) const
 
bool hasMeshProperty (const std::string &data_name) const
 
bool hasMeshProperty (const std::string &data_name) const
 
std::string meshPropertyName (const std::string &data_name) const
 
PerfID registerTimedSection (const std::string &section_name, const unsigned int level) const
 
PerfID registerTimedSection (const std::string &section_name, const unsigned int level, const std::string &live_message, const bool print_dots=true) const
 
std::string timedSectionName (const std::string &section_name) const
 
bool isCoupledScalar (const std::string &var_name, unsigned int i=0) const
 
unsigned int coupledScalarComponents (const std::string &var_name) const
 
unsigned int coupledScalar (const std::string &var_name, unsigned int comp=0) const
 
libMesh::Order coupledScalarOrder (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarValue (const std::string &var_name, unsigned int comp=0) const
 
const ADVariableValue & adCoupledScalarValue (const std::string &var_name, unsigned int comp=0) const
 
const GenericVariableValue< is_ad > & coupledGenericScalarValue (const std::string &var_name, unsigned int comp=0) const
 
const GenericVariableValue< false > & coupledGenericScalarValue (const std::string &var_name, const unsigned int comp) const
 
const GenericVariableValue< true > & coupledGenericScalarValue (const std::string &var_name, const unsigned int comp) const
 
const VariableValue & coupledVectorTagScalarValue (const std::string &var_name, TagID tag, unsigned int comp=0) const
 
const VariableValue & coupledMatrixTagScalarValue (const std::string &var_name, TagID tag, unsigned int comp=0) const
 
const VariableValue & coupledScalarValueOld (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarValueOlder (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarDot (const std::string &var_name, unsigned int comp=0) const
 
const ADVariableValue & adCoupledScalarDot (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarDotDot (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarDotOld (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarDotDotOld (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarDotDu (const std::string &var_name, unsigned int comp=0) const
 
const VariableValue & coupledScalarDotDotDu (const std::string &var_name, unsigned int comp=0) const
 
const MooseVariableScalar * getScalarVar (const std::string &var_name, unsigned int comp) const
 
virtual void checkMaterialProperty (const std::string &name, const unsigned int state)
 
void markMatPropRequested (const std::string &)
 
MaterialPropertyName getMaterialPropertyName (const std::string &name) const
 
void checkExecutionStage ()
 
const T & getReporterValue (const std::string &param_name, const std::size_t time_index=0)
 
const T & getReporterValue (const std::string &param_name, ReporterMode mode, const std::size_t time_index=0)
 
const T & getReporterValue (const std::string &param_name, const std::size_t time_index=0)
 
const T & getReporterValue (const std::string &param_name, ReporterMode mode, const std::size_t time_index=0)
 
const T & getReporterValueByName (const ReporterName &reporter_name, const std::size_t time_index=0)
 
const T & getReporterValueByName (const ReporterName &reporter_name, ReporterMode mode, const std::size_t time_index=0)
 
const T & getReporterValueByName (const ReporterName &reporter_name, const std::size_t time_index=0)
 
const T & getReporterValueByName (const ReporterName &reporter_name, ReporterMode mode, const std::size_t time_index=0)
 
bool hasReporterValue (const std::string &param_name) const
 
bool hasReporterValue (const std::string &param_name) const
 
bool hasReporterValue (const std::string &param_name) const
 
bool hasReporterValue (const std::string &param_name) const
 
bool hasReporterValueByName (const ReporterName &reporter_name) const
 
bool hasReporterValueByName (const ReporterName &reporter_name) const
 
bool hasReporterValueByName (const ReporterName &reporter_name) const
 
bool hasReporterValueByName (const ReporterName &reporter_name) const
 
const GenericMaterialProperty< T, is_ad > * defaultGenericMaterialProperty (const std::string &name)
 
const GenericMaterialProperty< T, is_ad > * defaultGenericMaterialProperty (const std::string &name)
 
const MaterialProperty< T > * defaultMaterialProperty (const std::string &name)
 
const MaterialProperty< T > * defaultMaterialProperty (const std::string &name)
 
const ADMaterialProperty< T > * defaultADMaterialProperty (const std::string &name)
 
const ADMaterialProperty< T > * defaultADMaterialProperty (const std::string &name)
 

Static Protected Member Functions

static std::string meshPropertyName (const std::string &data_name, const std::string &prefix)
 

Protected Attributes

const unsigned int _aqueous_fluid_component
 Fluid component number of the aqueous component. More...
 
unsigned int _gas_fluid_component
 Fluid component number of the gas phase. More...
 
const unsigned int _salt_component
 Salt component index. More...
 
const unsigned int _pidx
 Index of derivative wrt pressure. More...
 
const unsigned int _Zidx
 Index of derivative wrt total mass fraction Z. More...
 
const unsigned int _Tidx
 Index of derivative wrt temperature. More...
 
const unsigned int _Xidx
 Index of derivative wrt salt mass fraction X. More...
 
const Real _nr_max_its
 Maximum number of iterations for the Newton-Raphson routine. More...
 
const Real _nr_tol
 Tolerance for Newton-Raphson iterations. More...
 
unsigned int _num_phases
 Number of phases. More...
 
unsigned int _num_components
 Number of components. More...
 
const unsigned int _aqueous_phase_number
 Phase number of the aqueous phase. More...
 
unsigned int _gas_phase_number
 Phase number of the gas phase. More...
 
const Real _R
 Universal gas constant (J/mol/K) More...
 
const Real _T_c2k
 Conversion from C to K. More...
 
const PorousFlowCapillaryPressure & _pc
 Capillary pressure UserObject. More...
 
FluidStateProperties _empty_fsp
 Empty FluidStateProperties object. More...
 
SubProblem & _subproblem
 
FEProblemBase & _fe_problem
 
SystemBase & _sys
 
const THREAD_ID _tid
 
Assembly & _assembly
 
const Moose::CoordinateSystemType & _coord_sys
 
const bool _duplicate_initial_execution
 
std::set< std::string > _depend_uo
 
const bool & _enabled
 
MooseApp & _app
 
const std::string _type
 
const std::string _name
 
const InputParameters & _pars
 
Factory & _factory
 
ActionFactory & _action_factory
 
const ExecFlagEnum & _execute_enum
 
const ExecFlagType & _current_execute_flag
 
MooseApp & _restartable_app
 
const std::string _restartable_system_name
 
const THREAD_ID _restartable_tid
 
const bool _restartable_read_only
 
FEProblemBase & _mci_feproblem
 
FEProblemBase & _mdi_feproblem
 
MooseApp & _pg_moose_app
 
const std::string _prefix
 
FEProblemBase & _sc_fe_problem
 
const THREAD_ID _sc_tid
 
const Real & _real_zero
 
const VariableValue & _scalar_zero
 
const Point & _point_zero
 
const InputParameters & _mi_params
 
const std::string _mi_name
 
const MooseObjectName _mi_moose_object_name
 
FEProblemBase & _mi_feproblem
 
SubProblem & _mi_subproblem
 
const THREAD_ID _mi_tid
 
const Moose::MaterialDataType _material_data_type
 
MaterialData & _material_data
 
bool _stateful_allowed
 
bool _get_material_property_called
 
std::vector< std::unique_ptr< PropertyValue > > _default_properties
 
std::unordered_set< unsigned int > _material_property_dependencies
 
const MaterialPropertyName _get_suffix
 
const bool _use_interpolated_state
 
const InputParameters & _ti_params
 
FEProblemBase & _ti_feproblem
 
bool _is_implicit
 
Real & _t
 
const Real & _t_old
 
int & _t_step
 
Real & _dt
 
Real & _dt_old
 
bool _is_transient
 
const Parallel::Communicator & _communicator
 

Static Protected Attributes

static const std::string _interpolated_old
 
static const std::string _interpolated_older
 

Detailed Description

Compositional flash routines for miscible multiphase flow classes with multiple fluid components.

Definition at line 18 of file PorousFlowFluidStateMultiComponentBase.h.

Constructor & Destructor Documentation

◆ PorousFlowFluidStateMultiComponentBase()

PorousFlowFluidStateMultiComponentBase::PorousFlowFluidStateMultiComponentBase ( const InputParameters &  parameters)

Definition at line 23 of file PorousFlowFluidStateMultiComponentBase.C.

25  : PorousFlowFluidStateFlash(parameters),
26  _aqueous_fluid_component(getParam<unsigned int>("liquid_fluid_component")),
27  _salt_component(getParam<unsigned int>("salt_component")),
28  _pidx(0),
29  _Zidx(1),
30  _Tidx(2),
31  _Xidx(3)
32 {
33 }
PorousFlowFluidStateMultiComponentBase::_aqueous_fluid_component
const unsigned int _aqueous_fluid_component
Fluid component number of the aqueous component.
Definition: PorousFlowFluidStateMultiComponentBase.h:95
PorousFlowFluidStateMultiComponentBase::_salt_component
const unsigned int _salt_component
Salt component index.
Definition: PorousFlowFluidStateMultiComponentBase.h:103
PorousFlowFluidStateMultiComponentBase::_Tidx
const unsigned int _Tidx
Index of derivative wrt temperature.
Definition: PorousFlowFluidStateMultiComponentBase.h:109
PorousFlowFluidStateMultiComponentBase::_pidx
const unsigned int _pidx
Index of derivative wrt pressure.
Definition: PorousFlowFluidStateMultiComponentBase.h:105
PorousFlowFluidStateMultiComponentBase::_Zidx
const unsigned int _Zidx
Index of derivative wrt total mass fraction Z.
Definition: PorousFlowFluidStateMultiComponentBase.h:107
GeneralUserObject::parameters
const InputParameters & parameters() const
PorousFlowFluidStateMultiComponentBase::_Xidx
const unsigned int _Xidx
Index of derivative wrt salt mass fraction X.
Definition: PorousFlowFluidStateMultiComponentBase.h:111
PorousFlowFluidStateFlash::PorousFlowFluidStateFlash
PorousFlowFluidStateFlash(const InputParameters &parameters)
Definition: PorousFlowFluidStateFlash.C:20

Member Function Documentation

◆ aqueousComponentIndex()

unsigned int PorousFlowFluidStateMultiComponentBase::aqueousComponentIndex ( ) const
inline

The index of the aqueous fluid component.

Returns
aqueous fluid component number

Definition at line 29 of file PorousFlowFluidStateMultiComponentBase.h.

29 { return _aqueous_fluid_component; };
PorousFlowFluidStateMultiComponentBase::_aqueous_fluid_component
const unsigned int _aqueous_fluid_component
Fluid component number of the aqueous component.
Definition: PorousFlowFluidStateMultiComponentBase.h:95

◆ aqueousPhaseIndex()

unsigned int PorousFlowFluidStateBase::aqueousPhaseIndex ( ) const
inlineinherited

The index of the aqueous phase.

Returns
aqueous phase number

Definition at line 77 of file PorousFlowFluidStateBase.h.

77 { return _aqueous_phase_number; };
PorousFlowFluidStateBase::_aqueous_phase_number
const unsigned int _aqueous_phase_number
Phase number of the aqueous phase.
Definition: PorousFlowFluidStateBase.h:102

◆ clearFluidStateProperties()

void PorousFlowFluidStateBase::clearFluidStateProperties ( std::vector< FluidStateProperties > &  fsp) const
inherited

Clears the contents of the FluidStateProperties data structure.

Parameters
[out]fspFluidStateProperties data structure with all data initialized to 0

Definition at line 33 of file PorousFlowFluidStateBase.C.

Referenced by PorousFlowWaterNCG::thermophysicalProperties(), and PorousFlowBrineCO2::thermophysicalProperties().

34 {
35  std::fill(fsp.begin(), fsp.end(), _empty_fsp);
36 }
PorousFlowFluidStateBase::_empty_fsp
FluidStateProperties _empty_fsp
Empty FluidStateProperties object.
Definition: PorousFlowFluidStateBase.h:112

◆ execute()

void PorousFlowFluidStateBase::execute ( )
inlinefinalvirtualinherited

Implements GeneralUserObject.

Definition at line 58 of file PorousFlowFluidStateBase.h.

58 {};

◆ finalize()

void PorousFlowFluidStateBase::finalize ( )
inlinefinalvirtualinherited

Implements GeneralUserObject.

Definition at line 59 of file PorousFlowFluidStateBase.h.

59 {};

◆ fluidStateName()

virtual std::string PorousFlowFluidStateBase::fluidStateName ( ) const
pure virtualinherited

Name of FluidState.

Implemented in PorousFlowBrineCO2, PorousFlowWaterNCG, and PorousFlowWaterVapor.

◆ gasComponentIndex()

unsigned int PorousFlowFluidStateMultiComponentBase::gasComponentIndex ( ) const
inline

The index of the gas fluid component.

Returns
gas fluid component number

Definition at line 35 of file PorousFlowFluidStateMultiComponentBase.h.

35 { return _gas_fluid_component; };
PorousFlowFluidStateMultiComponentBase::_gas_fluid_component
unsigned int _gas_fluid_component
Fluid component number of the gas phase.
Definition: PorousFlowFluidStateMultiComponentBase.h:101

◆ gasPhaseIndex()

unsigned int PorousFlowFluidStateBase::gasPhaseIndex ( ) const
inlineinherited

The index of the gas phase.

Returns
gas phase number

Definition at line 83 of file PorousFlowFluidStateBase.h.

83 { return _gas_phase_number; };
PorousFlowFluidStateBase::_gas_phase_number
unsigned int _gas_phase_number
Phase number of the gas phase.
Definition: PorousFlowFluidStateBase.h:104

◆ getPressureIndex()

unsigned int PorousFlowFluidStateMultiComponentBase::getPressureIndex ( ) const
inline

Definition at line 92 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by PorousFlowWaterNCGTest::buildObjects(), and PorousFlowBrineCO2Test::buildObjects().

92 { return _pidx; };
PorousFlowFluidStateMultiComponentBase::_pidx
const unsigned int _pidx
Index of derivative wrt pressure.
Definition: PorousFlowFluidStateMultiComponentBase.h:105

◆ getTemperatureIndex()

unsigned int PorousFlowFluidStateMultiComponentBase::getTemperatureIndex ( ) const
inline

Definition at line 93 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by PorousFlowWaterNCGTest::buildObjects(), and PorousFlowBrineCO2Test::buildObjects().

93 { return _Tidx; };
PorousFlowFluidStateMultiComponentBase::_Tidx
const unsigned int _Tidx
Index of derivative wrt temperature.
Definition: PorousFlowFluidStateMultiComponentBase.h:109

◆ getXIndex()

unsigned int PorousFlowFluidStateMultiComponentBase::getXIndex ( ) const
inline

Definition at line 95 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by PorousFlowBrineCO2Test::buildObjects().

95 { return _Xidx; };
PorousFlowFluidStateMultiComponentBase::_Xidx
const unsigned int _Xidx
Index of derivative wrt salt mass fraction X.
Definition: PorousFlowFluidStateMultiComponentBase.h:111

◆ getZIndex()

unsigned int PorousFlowFluidStateMultiComponentBase::getZIndex ( ) const
inline

Definition at line 94 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by PorousFlowWaterNCGTest::buildObjects(), and PorousFlowBrineCO2Test::buildObjects().

94 { return _Zidx; };
PorousFlowFluidStateMultiComponentBase::_Zidx
const unsigned int _Zidx
Index of derivative wrt total mass fraction Z.
Definition: PorousFlowFluidStateMultiComponentBase.h:107

◆ initialize()

void PorousFlowFluidStateBase::initialize ( )
inlinefinalvirtualinherited

Implements GeneralUserObject.

Definition at line 57 of file PorousFlowFluidStateBase.h.

57 {};

◆ numComponents()

unsigned int PorousFlowFluidStateBase::numComponents ( ) const
inlineinherited

The maximum number of components in this model.

Returns
number of components

Definition at line 71 of file PorousFlowFluidStateBase.h.

71 { return _num_components; };
PorousFlowFluidStateBase::_num_components
unsigned int _num_components
Number of components.
Definition: PorousFlowFluidStateBase.h:100

◆ numPhases()

unsigned int PorousFlowFluidStateBase::numPhases ( ) const
inlineinherited

The maximum number of phases in this model.

Returns
number of phases

Definition at line 65 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowFluidStateSingleComponentTempl< is_ad >::PorousFlowFluidStateSingleComponentTempl(), and PorousFlowFluidStateTempl< is_ad >::PorousFlowFluidStateTempl().

65 { return _num_phases; };
PorousFlowFluidStateBase::_num_phases
unsigned int _num_phases
Number of phases.
Definition: PorousFlowFluidStateBase.h:98

◆ phaseState()

void PorousFlowFluidStateMultiComponentBase::phaseState ( Real  Zi,
Real  Xi,
Real  Yi,
FluidStatePhaseEnum &  phase_state 
) const

Determines the phase state gven the total mass fraction and equilibrium mass fractions.

Parameters
Zitotal mass fraction
Xiequilibrium mass fraction in liquid
Yiequilibrium mass fraction in gas
[out]phase_statethe phase state (gas, liquid, two phase)

Definition at line 36 of file PorousFlowFluidStateMultiComponentBase.C.

Referenced by PorousFlowWaterNCG::massFractions(), and PorousFlowBrineCO2::massFractions().

40 {
41  if (Zi <= Xi)
42  {
43  // In this case, there is not enough component i to form a gas phase,
44  // so only a liquid phase is present
45  phase_state = FluidStatePhaseEnum::LIQUID;
46  }
47  else if (Zi > Xi && Zi < Yi)
48  {
49  // Two phases are present
50  phase_state = FluidStatePhaseEnum::TWOPHASE;
51  }
52  else // (Zi >= Yi)
53  {
54  // In this case, there is not enough water to form a liquid
55  // phase, so only a gas phase is present
56  phase_state = FluidStatePhaseEnum::GAS;
57  }
58 }

◆ rachfordRice()

Real PorousFlowFluidStateFlash::rachfordRice ( Real  vf,
std::vector< Real > &  Zi,
std::vector< Real > &  Ki 
) const
inherited

Rachford-Rice equation for vapor fraction.

Can be solved analytically for two components in two phases, but must be solved iteratively using a root finding algorithm for more components. This equation has the nice property that it is monotonic in the interval [0,1], so that only a small number of iterations are typically required to find the root.

The Rachford-Rice equation can also be used to check whether the phase state is two phase, single phase gas, or single phase liquid. Evaluate f(v), the Rachford-Rice equation evaluated at the vapor mass fraction.

If f(0) < 0, then the mixture is below the bubble point, and only a single phase liquid can exist

If f(1) > 0, then the mixture is above the dew point, and only a single phase gas exists.

If f(0) >= 0 and f(1) <= 0, the mixture is between the bubble and dew points, and both gas and liquid phases exist.

Parameters
vfvapor fraction
Zimass fractions
Kiequilibrium constants
Returns
f(x)

Definition at line 26 of file PorousFlowFluidStateFlash.C.

Referenced by PorousFlowFluidStateFlash::vaporMassFraction().

29 {
30  const std::size_t num_z = Zi.size();
31  // Check that the sizes of the mass fractions and equilibrium constant vectors are correct
32  if (Ki.size() != num_z + 1)
33  mooseError("The number of mass fractions or equilibrium components passed to rachfordRice is "
34  "not correct");
35 
36  Real f = 0.0;
37  Real Z_total = 0.0;
38 
39  for (std::size_t i = 0; i < num_z; ++i)
40  {
41  f += Zi[i] * (Ki[i] - 1.0) / (1.0 + x * (Ki[i] - 1.0));
42  Z_total += Zi[i];
43  }
44 
45  // Add the last component (with total mass fraction = 1 - z_total)
46  f += (1.0 - Z_total) * (Ki[num_z] - 1.0) / (1.0 + x * (Ki[num_z] - 1.0));
47 
48  return f;
49 }
x
const std::vector< double > x
Definition: EquilibriumConstantFitTest.C:17
f
Real f(Real x)
Test function for Brents method.
Definition: BrentsMethodTest.C:21
Real
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real
GeneralUserObject::mooseError
void mooseError(Args &&... args) const

◆ rachfordRiceDeriv()

Real PorousFlowFluidStateFlash::rachfordRiceDeriv ( Real  vf,
std::vector< Real > &  Zi,
std::vector< Real > &  Ki 
) const
inherited

Derivative of Rachford-Rice equation wrt vapor fraction.

Has the nice property that it is strictly negative in the interval [0,1]

Parameters
vfvapor fraction
Zimass fractions
Kiequilibrium constants
Returns
f'(x)

Definition at line 52 of file PorousFlowFluidStateFlash.C.

Referenced by PorousFlowFluidStateFlash::vaporMassFraction().

55 {
56  const std::size_t num_Z = Zi.size();
57  // Check that the sizes of the mass fractions and equilibrium constant vectors are correct
58  if (Ki.size() != num_Z + 1)
59  mooseError("The number of mass fractions or equilibrium components passed to rachfordRice is "
60  "not correct");
61 
62  Real df = 0.0;
63  Real Z_total = 0.0;
64 
65  for (std::size_t i = 0; i < num_Z; ++i)
66  {
67  df -= Zi[i] * (Ki[i] - 1.0) * (Ki[i] - 1.0) / (1.0 + x * (Ki[i] - 1.0)) /
68  (1.0 + x * (Ki[i] - 1.0));
69  Z_total += Zi[i];
70  }
71 
72  // Add the last component (with total mass fraction = 1 - z_total)
73  df -= (1.0 - Z_total) * (Ki[num_Z] - 1.0) * (Ki[num_Z] - 1.0) / (1.0 + x * (Ki[num_Z] - 1.0)) /
74  (1.0 + x * (Ki[num_Z] - 1.0));
75 
76  return df;
77 }
x
const std::vector< double > x
Definition: EquilibriumConstantFitTest.C:17
Real
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real
GeneralUserObject::mooseError
void mooseError(Args &&... args) const

◆ saltComponentIndex()

unsigned int PorousFlowFluidStateMultiComponentBase::saltComponentIndex ( ) const
inline

The index of the salt component.

Returns
salt component number

Definition at line 41 of file PorousFlowFluidStateMultiComponentBase.h.

41 { return _salt_component; };
PorousFlowFluidStateMultiComponentBase::_salt_component
const unsigned int _salt_component
Salt component index.
Definition: PorousFlowFluidStateMultiComponentBase.h:103

◆ thermophysicalProperties() [1/2]

virtual void PorousFlowFluidStateMultiComponentBase::thermophysicalProperties ( Real  pressure,
Real  temperature,
Real  Xnacl,
Real  Z,
unsigned int  qp,
std::vector< FluidStateProperties > &  fsp 
) const
pure virtual

Determines the complete thermophysical state of the system for a given set of primary variables.

Parameters
pressuregas phase pressure (Pa)
temperaturefluid temperature (K)
Xnaclmass fraction of NaCl
Ztotal mass fraction of fluid component
qpquadpoint index
[out]fspthe FluidStateProperties struct containing all properties

Implemented in PorousFlowBrineCO2, and PorousFlowWaterNCG.

◆ thermophysicalProperties() [2/2]

virtual void PorousFlowFluidStateMultiComponentBase::thermophysicalProperties ( const ADReal &  pressure,
const ADReal &  temperature,
const ADReal &  Xnacl,
const ADReal &  Z,
unsigned int  qp,
std::vector< FluidStateProperties > &  fsp 
) const
pure virtual

Implemented in PorousFlowBrineCO2, and PorousFlowWaterNCG.

◆ totalMassFraction()

virtual Real PorousFlowFluidStateMultiComponentBase::totalMassFraction ( Real  pressure,
Real  temperature,
Real  Xnacl,
Real  saturation,
unsigned int  qp 
) const
pure virtual

Total mass fraction of fluid component summed over all phases in the two-phase state for a specified gas saturation.

Parameters
pressuregas pressure (Pa)
temperaturetemperature (K)
XnaclNaCl mass fraction (kg/kg)
saturationgas saturation (-)
qpquadpoint index
Returns
total mass fraction Z (-)

Implemented in PorousFlowBrineCO2, and PorousFlowWaterNCG.

Referenced by PorousFlowFluidStateIC::value().

◆ validParams()

InputParameters PorousFlowFluidStateMultiComponentBase::validParams ( )
static

Definition at line 13 of file PorousFlowFluidStateMultiComponentBase.C.

Referenced by PorousFlowWaterNCG::validParams(), and PorousFlowBrineCO2::validParams().

14 {
15  InputParameters params = PorousFlowFluidStateFlash::validParams();
16  params.addParam<unsigned int>(
17  "liquid_fluid_component", 0, "The fluid component number of the primary liquid component");
18  params.addParam<unsigned int>("salt_component", 2, "The component number of salt");
19  params.addClassDescription("Base class for multiple component fluid state classes");
20  return params;
21 }
PorousFlowFluidStateFlash::validParams
static InputParameters validParams()
Definition: PorousFlowFluidStateFlash.C:13
InputParameters::addParam
void addParam(const std::string &name, const std::initializer_list< typename T::value_type > &value, const std::string &doc_string)
InputParameters::addClassDescription
void addClassDescription(const std::string &doc_string)

◆ vaporMassFraction() [1/3]

Real PorousFlowFluidStateFlash::vaporMassFraction ( Real  Z0,
Real  K0,
Real  K1 
) const
inherited

Solves Rachford-Rice equation to provide vapor mass fraction.

For two components, the analytical solution is used, while for cases with more than two components, a Newton-Raphson iterative solution is calculated.

Parameters
Zitotal mass fraction(s)
Kiequilibrium constant(s)
Returns
vapor mass fraction

Definition at line 80 of file PorousFlowFluidStateFlash.C.

Referenced by PorousFlowWaterNCG::saturation(), PorousFlowBrineCO2::saturation(), and PorousFlowFluidStateFlash::vaporMassFraction().

81 {
82  return (Z0 * (K1 - K0) - (K1 - 1.0)) / ((K0 - 1.0) * (K1 - 1.0));
83 }

◆ vaporMassFraction() [2/3]

ADReal PorousFlowFluidStateFlash::vaporMassFraction ( const ADReal &  Z0,
const ADReal &  K0,
const ADReal &  K1 
) const
inherited

Definition at line 86 of file PorousFlowFluidStateFlash.C.

89 {
90  return (Z0 * (K1 - K0) - (K1 - 1.0)) / ((K0 - 1.0) * (K1 - 1.0));
91 }

◆ vaporMassFraction() [3/3]

Real PorousFlowFluidStateFlash::vaporMassFraction ( std::vector< Real > &  Zi,
std::vector< Real > &  Ki 
) const
inherited

Definition at line 94 of file PorousFlowFluidStateFlash.C.

95 {
96  // Check that the sizes of the mass fractions and equilibrium constant vectors are correct
97  if (Ki.size() != Zi.size() + 1)
98  mooseError("The number of mass fractions or equilibrium components passed to rachfordRice is "
99  "not correct");
100  Real v;
101 
102  // If there are only two components, an analytical solution is possible
103  if (Ki.size() == 2)
104  v = vaporMassFraction(Zi[0], Ki[0], Ki[1]);
105  else
106  {
107  // More than two components - solve the Rachford-Rice equation using
108  // Newton-Raphson method
109  // Initial guess for vapor mass fraction
110  Real v0 = 0.5;
111  unsigned int iter = 0;
112 
113  while (std::abs(rachfordRice(v0, Zi, Ki)) > _nr_tol)
114  {
115  v0 = v0 - rachfordRice(v0, Zi, Ki) / rachfordRiceDeriv(v0, Zi, Ki);
116  iter++;
117 
118  if (iter > _nr_max_its)
119  break;
120  }
121  v = v0;
122  }
123  return v;
124 }
PorousFlowFluidStateFlash::rachfordRice
Real rachfordRice(Real vf, std::vector< Real > &Zi, std::vector< Real > &Ki) const
Rachford-Rice equation for vapor fraction.
Definition: PorousFlowFluidStateFlash.C:26
Real
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real
NS::v
static const std::string v
Definition: NS.h:84
PorousFlowFluidStateFlash::vaporMassFraction
Real vaporMassFraction(Real Z0, Real K0, Real K1) const
Solves Rachford-Rice equation to provide vapor mass fraction.
Definition: PorousFlowFluidStateFlash.C:80
GeneralUserObject::mooseError
void mooseError(Args &&... args) const
PorousFlowFluidStateFlash::_nr_tol
const Real _nr_tol
Tolerance for Newton-Raphson iterations.
Definition: PorousFlowFluidStateFlash.h:79
PorousFlowFluidStateFlash::rachfordRiceDeriv
Real rachfordRiceDeriv(Real vf, std::vector< Real > &Zi, std::vector< Real > &Ki) const
Derivative of Rachford-Rice equation wrt vapor fraction.
Definition: PorousFlowFluidStateFlash.C:52
PorousFlowFluidStateFlash::_nr_max_its
const Real _nr_max_its
Maximum number of iterations for the Newton-Raphson routine.
Definition: PorousFlowFluidStateFlash.h:77

Member Data Documentation

◆ _aqueous_fluid_component

const unsigned int PorousFlowFluidStateMultiComponentBase::_aqueous_fluid_component
protected

Fluid component number of the aqueous component.

Definition at line 95 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by aqueousComponentIndex(), PorousFlowWaterNCG::massFractions(), PorousFlowBrineCO2::massFractions(), PorousFlowBrineCO2::PorousFlowBrineCO2(), PorousFlowWaterNCG::PorousFlowWaterNCG(), PorousFlowWaterNCG::saturation(), PorousFlowBrineCO2::saturation(), PorousFlowWaterNCG::totalMassFraction(), and PorousFlowBrineCO2::totalMassFraction().

◆ _aqueous_phase_number

const unsigned int PorousFlowFluidStateBase::_aqueous_phase_number
protectedinherited

Phase number of the aqueous phase.

Definition at line 102 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowFluidStateBase::aqueousPhaseIndex(), PorousFlowWaterNCG::gasDensity(), PorousFlowWaterNCG::gasProperties(), PorousFlowWaterNCG::liquidProperties(), PorousFlowBrineCO2::liquidProperties(), PorousFlowWaterNCG::massFractions(), PorousFlowBrineCO2::massFractions(), PorousFlowBrineCO2::PorousFlowBrineCO2(), PorousFlowWaterNCG::PorousFlowWaterNCG(), PorousFlowWaterVapor::PorousFlowWaterVapor(), PorousFlowWaterVapor::thermophysicalProperties(), PorousFlowWaterNCG::thermophysicalProperties(), PorousFlowBrineCO2::thermophysicalProperties(), PorousFlowWaterNCG::totalMassFraction(), and PorousFlowBrineCO2::totalMassFraction().

◆ _empty_fsp

FluidStateProperties PorousFlowFluidStateBase::_empty_fsp
protectedinherited

Empty FluidStateProperties object.

Definition at line 112 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowFluidStateBase::clearFluidStateProperties(), PorousFlowBrineCO2::PorousFlowBrineCO2(), PorousFlowWaterNCG::PorousFlowWaterNCG(), and PorousFlowWaterVapor::PorousFlowWaterVapor().

◆ _gas_fluid_component

unsigned int PorousFlowFluidStateMultiComponentBase::_gas_fluid_component
protected

Fluid component number of the gas phase.

Definition at line 101 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by gasComponentIndex(), PorousFlowWaterNCG::gasDensity(), PorousFlowWaterNCG::gasProperties(), PorousFlowWaterNCG::liquidProperties(), PorousFlowBrineCO2::liquidProperties(), PorousFlowWaterNCG::massFractions(), PorousFlowBrineCO2::massFractions(), PorousFlowBrineCO2::PorousFlowBrineCO2(), PorousFlowWaterNCG::PorousFlowWaterNCG(), PorousFlowWaterNCG::saturation(), PorousFlowBrineCO2::saturation(), PorousFlowWaterNCG::totalMassFraction(), and PorousFlowBrineCO2::totalMassFraction().

◆ _gas_phase_number

unsigned int PorousFlowFluidStateBase::_gas_phase_number
protectedinherited

Phase number of the gas phase.

Definition at line 104 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowWaterNCG::gasDensity(), PorousFlowFluidStateBase::gasPhaseIndex(), PorousFlowWaterNCG::gasProperties(), PorousFlowBrineCO2::gasProperties(), PorousFlowWaterNCG::massFractions(), PorousFlowBrineCO2::massFractions(), PorousFlowBrineCO2::PorousFlowBrineCO2(), PorousFlowWaterNCG::PorousFlowWaterNCG(), PorousFlowWaterVapor::PorousFlowWaterVapor(), PorousFlowWaterNCG::saturation(), PorousFlowBrineCO2::saturation(), PorousFlowWaterVapor::thermophysicalProperties(), PorousFlowWaterNCG::thermophysicalProperties(), PorousFlowBrineCO2::thermophysicalProperties(), PorousFlowWaterNCG::totalMassFraction(), PorousFlowBrineCO2::totalMassFraction(), PorousFlowWaterNCG::twoPhaseProperties(), and PorousFlowBrineCO2::twoPhaseProperties().

◆ _nr_max_its

const Real PorousFlowFluidStateFlash::_nr_max_its
protectedinherited

Maximum number of iterations for the Newton-Raphson routine.

Definition at line 77 of file PorousFlowFluidStateFlash.h.

Referenced by PorousFlowFluidStateFlash::vaporMassFraction().

◆ _nr_tol

const Real PorousFlowFluidStateFlash::_nr_tol
protectedinherited

Tolerance for Newton-Raphson iterations.

Definition at line 79 of file PorousFlowFluidStateFlash.h.

Referenced by PorousFlowFluidStateFlash::vaporMassFraction().

◆ _num_components

unsigned int PorousFlowFluidStateBase::_num_components
protectedinherited

Number of components.

Definition at line 100 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowFluidStateBase::numComponents(), PorousFlowBrineCO2::PorousFlowBrineCO2(), PorousFlowWaterNCG::PorousFlowWaterNCG(), PorousFlowWaterVapor::PorousFlowWaterVapor(), PorousFlowWaterNCG::totalMassFraction(), and PorousFlowBrineCO2::totalMassFraction().

◆ _num_phases

unsigned int PorousFlowFluidStateBase::_num_phases
protectedinherited

Number of phases.

Definition at line 98 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowFluidStateBase::numPhases(), PorousFlowBrineCO2::PorousFlowBrineCO2(), PorousFlowWaterNCG::PorousFlowWaterNCG(), PorousFlowWaterVapor::PorousFlowWaterVapor(), PorousFlowWaterNCG::totalMassFraction(), and PorousFlowBrineCO2::totalMassFraction().

◆ _pc

const PorousFlowCapillaryPressure& PorousFlowFluidStateBase::_pc
protectedinherited

Capillary pressure UserObject.

Definition at line 110 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowWaterVapor::thermophysicalProperties(), PorousFlowWaterNCG::thermophysicalProperties(), PorousFlowBrineCO2::thermophysicalProperties(), PorousFlowWaterNCG::totalMassFraction(), PorousFlowBrineCO2::totalMassFraction(), PorousFlowWaterNCG::twoPhaseProperties(), and PorousFlowBrineCO2::twoPhaseProperties().

◆ _pidx

const unsigned int PorousFlowFluidStateMultiComponentBase::_pidx
protected

Index of derivative wrt pressure.

Definition at line 105 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by PorousFlowBrineCO2::equilibriumMoleFractions(), getPressureIndex(), PorousFlowWaterNCG::thermophysicalProperties(), and PorousFlowBrineCO2::thermophysicalProperties().

◆ _R

const Real PorousFlowFluidStateBase::_R
protectedinherited

Universal gas constant (J/mol/K)

Definition at line 106 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowWaterNCG::enthalpyOfDissolution(), and PorousFlowBrineCO2::enthalpyOfDissolutionGas().

◆ _salt_component

const unsigned int PorousFlowFluidStateMultiComponentBase::_salt_component
protected

Salt component index.

Definition at line 103 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by saltComponentIndex().

◆ _T_c2k

const Real PorousFlowFluidStateBase::_T_c2k
protectedinherited

Conversion from C to K.

Definition at line 108 of file PorousFlowFluidStateBase.h.

Referenced by PorousFlowBrineCO2::equilibriumConstantCO2(), PorousFlowBrineCO2::equilibriumConstantH2O(), PorousFlowBrineCO2::funcABHighTemp(), PorousFlowBrineCO2::henryConstant(), and PorousFlowBrineCO2::partialDensityCO2().

◆ _Tidx

const unsigned int PorousFlowFluidStateMultiComponentBase::_Tidx
protected

Index of derivative wrt temperature.

Definition at line 109 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by PorousFlowWaterNCG::enthalpyOfDissolution(), PorousFlowBrineCO2::enthalpyOfDissolutionGas(), PorousFlowBrineCO2::equilibriumMoleFractions(), getTemperatureIndex(), PorousFlowWaterNCG::thermophysicalProperties(), and PorousFlowBrineCO2::thermophysicalProperties().

◆ _Xidx

const unsigned int PorousFlowFluidStateMultiComponentBase::_Xidx
protected

Index of derivative wrt salt mass fraction X.

Definition at line 111 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by PorousFlowBrineCO2::equilibriumMoleFractions(), getXIndex(), PorousFlowWaterNCG::thermophysicalProperties(), and PorousFlowBrineCO2::thermophysicalProperties().

◆ _Zidx

const unsigned int PorousFlowFluidStateMultiComponentBase::_Zidx
protected

Index of derivative wrt total mass fraction Z.

Definition at line 107 of file PorousFlowFluidStateMultiComponentBase.h.

Referenced by getZIndex(), PorousFlowWaterNCG::thermophysicalProperties(), and PorousFlowBrineCO2::thermophysicalProperties().

The documentation for this class was generated from the following files:
Generated on Fri Jul 18 2025 13:50:08 for https://mooseframework.inl.gov by   doxygen 1.8.14