Inheritance diagram for ablate::eos::TChem:

Classes
struct	ThermodynamicMassFractionFunction

Public Member Functions
	TChem (std::filesystem::path mechanismFile, std::shared_ptr< ablate::monitors::logs::Log >={}, const std::shared_ptr< ablate::parameters::Parameters > &options={})

ThermodynamicFunction	GetThermodynamicFunction (ThermodynamicProperty property, const std::vector< domain::Field > &fields) const override

ThermodynamicTemperatureFunction	GetThermodynamicTemperatureFunction (ThermodynamicProperty property, const std::vector< domain::Field > &fields) const override

ThermodynamicMassFractionFunction	GetThermodynamicMassFractionFunction (ThermodynamicProperty property, const std::vector< domain::Field > &fields) const

ThermodynamicTemperatureMassFractionFunction	GetThermodynamicTemperatureMassFractionFunction (ThermodynamicProperty property, const std::vector< domain::Field > &fields) const override

EOSFunction	GetFieldFunctionFunction (const std::string &field, ThermodynamicProperty property1, ThermodynamicProperty property2, std::vector< std::string > otherProperties) const override

std::map< std::string, double >	GetElementInformation () const override

std::map< std::string, std::map< std::string, int > >	GetSpeciesElementalInformation () const override

std::map< std::string, double >	GetSpeciesMolecularMass () const override

std::shared_ptr< SourceCalculator >	CreateSourceCalculator (const std::vector< domain::Field > &fields, const ablate::domain::Range &cellRange) override

Public Member Functions inherited from ablate::eos::TChemBase
	TChemBase (const std::string &eosName, std::filesystem::path mechanismFile, const std::shared_ptr< ablate::monitors::logs::Log > &={}, const std::shared_ptr< ablate::parameters::Parameters > &options={})

void	View (std::ostream &stream) const override

tChemLib::KineticModelData &	GetKineticModelData ()

real_type_1d_view	GetEnthalpyOfFormation ()

const std::vector< std::string > &	GetSpeciesVariables () const override

virtual const std::vector< std::string > &	GetProgressVariables () const override

double	GetEnthalpyOfFormation (std::string_view speciesName) const override

Public Member Functions inherited from ablate::eos::ChemistryModel
	ChemistryModel (std::string name)

virtual std::vector< std::tuple< ablate::solver::CellSolver::SolutionFieldUpdateFunction, void *, std::vector< std::string > > >	GetSolutionFieldUpdates ()

Public Member Functions inherited from ablate::eos::EOS
	EOS (std::string typeIn)

virtual std::vector< std::string >	GetFieldTags () const

virtual std::vector< std::shared_ptr< domain::FieldDescriptor > >	GetAdditionalFields () const

virtual const std::vector< std::string > &	GetFieldFunctionProperties () const

Protected Types
using	ThermodynamicStaticFunction = PetscErrorCode()(const PetscReal conserved[], PetscReal property, void *ctx)

using	ThermodynamicTemperatureStaticFunction = PetscErrorCode()(const PetscReal conserved[], PetscReal temperature, PetscReal property, void *ctx)

using	ThermodynamicStaticMassFractionFunction = PetscErrorCode()(const PetscReal conserved[], const PetscReal yi[], PetscReal property, void *ctx)

using	ThermodynamicTemperatureStaticMassFractionFunction = PetscErrorCode()(const PetscReal conserved[], const PetscReal yi[], PetscReal temperature, PetscReal property, void *ctx)

Protected Member Functions
std::shared_ptr< FunctionContext >	BuildFunctionContext (ablate::eos::ThermodynamicProperty property, const std::vector< domain::Field > &fields, bool checkDensityYi=true) const

Static Protected Member Functions

static void FillWorkingVectorFromDensityMassFractions (double density, double temperature, const double *densityYi, const tChemLib::Impl::StateVector< real_type_1d_view_host > &stateVector)

static void FillWorkingVectorFromMassFractions (double density, double temperature, const double *densityYi, const tChemLib::Impl::StateVector< real_type_1d_view_host > &stateVector)

Direct Thermodynamic Properties Functions

These functions are used to compute the direct thermodynamic properties (without temperature). They are not called directly but a pointer to them is returned

Parameters

conserved
property
ctx

Returns

static PetscErrorCode DensityFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode TemperatureFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode PressureFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode InternalSensibleEnergyFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode SensibleEnthalpyFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantVolumeFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantPressureFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode SpeedOfSoundFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode SpeciesSensibleEnthalpyFunction (const PetscReal conserved[], PetscReal *property, void *ctx)

static PetscErrorCode DensityMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode TemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode PressureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode InternalSensibleEnergyMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode SensibleEnthalpyMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantVolumeMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantPressureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode SpeedOfSoundMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

static PetscErrorCode SpeciesSensibleEnthalpyMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal *property, void *ctx)

Temperature Based Thermodynamic Properties Functions

These functions are used to compute the thermodynamic properties when temperature is known. They are not called directly but a pointer to them is returned and may be faster than the direct calls.

Parameters

conserved
property
ctx

Returns

static PetscErrorCode DensityTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode TemperatureTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode PressureTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode InternalSensibleEnergyTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SensibleEnthalpyTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantVolumeTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantPressureTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpeedOfSoundTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpeciesSensibleEnthalpyTemperatureFunction (const PetscReal conserved[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode DensityTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode TemperatureTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode PressureTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode InternalSensibleEnergyTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SensibleEnthalpyTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantVolumeTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpecificHeatConstantPressureTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpeedOfSoundTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

static PetscErrorCode SpeciesSensibleEnthalpyTemperatureMassFractionFunction (const PetscReal conserved[], const PetscReal yi[], PetscReal T, PetscReal *property, void *ctx)

Protected Attributes
std::map< ThermodynamicProperty, std::tuple< ThermodynamicStaticFunction, ThermodynamicTemperatureStaticFunction, std::function< ordinal_type(ordinal_type)> > >	thermodynamicFunctions

std::map< ThermodynamicProperty, std::tuple< ThermodynamicStaticMassFractionFunction, ThermodynamicTemperatureStaticMassFractionFunction, std::function< ordinal_type(ordinal_type)> > >	thermodynamicMassFractionFunctions

const std::set< ThermodynamicProperty >	speciesSizedProperties = {ThermodynamicProperty::SpeciesSensibleEnthalpy}

Protected Attributes inherited from ablate::eos::TChemBase
tChem::SourceCalculator::ChemistryConstraints	constraints
	hold a copy of the constrains that can be used for single or batch source calculation

const std::filesystem::path	mechanismFile
	the mechanismFile may be chemkin or yaml based

std::shared_ptr< ablate::monitors::logs::Log >	log
	an optional log file for tchem echo redirection

tChemLib::KineticModelData	kineticsModel

std::shared_ptr< tChemLib::KineticModelGasConstData< typename Tines::UseThisDevice< host_exec_space >::type > >	kineticsModelDataHost

std::shared_ptr< tChemLib::KineticModelGasConstData< typename Tines::UseThisDevice< exec_space >::type > >	kineticsModelDataDevice

std::vector< std::string >	species

real_type_1d_view	enthalpyReferenceDevice

real_type_1d_view_host	enthalpyReferenceHost

Protected Attributes inherited from ablate::eos::EOS
const std::string	type

Additional Inherited Members
Static Public Attributes inherited from ablate::eos::TChemBase
static const double	TREF = 298.15

Static Public Attributes inherited from ablate::eos::EOS
static const std::string	YI = "Yi"

static const std::string	PROGRESS = "Progress"

Static Protected Attributes inherited from ablate::eos::TChemBase
static const std::array< std::string, 2 >	validFileExtensions = {".yaml", ".yml"}

Member Typedef Documentation

◆ ThermodynamicStaticFunction

using ablate::eos::TChem::ThermodynamicStaticFunction = PetscErrorCode (*)(const PetscReal conserved[], PetscReal* property, void* ctx)

protected

template function to call base tChem function Store a map of functions functions for quick lookup

◆ ThermodynamicStaticMassFractionFunction

using ablate::eos::TChem::ThermodynamicStaticMassFractionFunction = PetscErrorCode (*)(const PetscReal conserved[], const PetscReal yi[], PetscReal* property, void* ctx)

protected

Store a map of functions functions for quick lookup

Constructor & Destructor Documentation

◆ TChem()

ablate::eos::TChem::TChem	(	std::filesystem::path	mechanismFile,
		std::shared_ptr< ablate::monitors::logs::Log >	logIn = `{}`,
		const std::shared_ptr< ablate::parameters::Parameters > &	options = `{}`
	)

explicit

The tChem EOS can utilize either a mechanical & thermo file using the Chemkin file format for a modern yaml file.

Parameters

mechFile
optionalThermoFile

Member Function Documentation

◆ BuildFunctionContext()

std::shared_ptr< ablate::eos::TChem::FunctionContext > ablate::eos::TChem::BuildFunctionContext	(	ablate::eos::ThermodynamicProperty	property,
		const std::vector< domain::Field > &	fields,
		bool	checkDensityYi = `true`
	)		const

protected

helper function to build the function context needed regardless of function type

Template Parameters

Function
Type

Parameters

fields
optional	argument to check for yi

Returns

◆ CreateSourceCalculator()

std::shared_ptr< ablate::eos::ChemistryModel::SourceCalculator > ablate::eos::TChem::CreateSourceCalculator	(	const std::vector< domain::Field > &	fields,
		const ablate::domain::Range &	cellRange
	)

overridevirtual

Function to create the batch source specific to the provided cell range

Parameters

fields
cellRange

Returns

Implements ablate::eos::ChemistryModel.

◆ FillWorkingVectorFromDensityMassFractions()

void ablate::eos::TChem::FillWorkingVectorFromDensityMassFractions	(	double	density,
		double	temperature,
		const double *	densityYi,
		const tChemLib::Impl::StateVector< real_type_1d_view_host > &	stateVector
	)

staticprotected

Fill and Normalize the density species mass fractions

Parameters

numSpec
yi

◆ FillWorkingVectorFromMassFractions()

void ablate::eos::TChem::FillWorkingVectorFromMassFractions	(	double	density,
		double	temperature,
		const double *	densityYi,
		const tChemLib::Impl::StateVector< real_type_1d_view_host > &	stateVector
	)

staticprotected

Fill the working vector from yi

Parameters

numSpec
yi

◆ GetElementInformation()

std::map< std::string, double > ablate::eos::TChem::GetElementInformation ( ) const

overridevirtual

Returns all elements tracked in this mechanism and their molecular mass

Returns

Reimplemented from ablate::eos::ChemistryModel.

◆ GetFieldFunctionFunction()

ablate::eos::EOSFunction ablate::eos::TChem::GetFieldFunctionFunction	(	const std::string &	field,
		ThermodynamicProperty	property1,
		ThermodynamicProperty	property2,
		std::vector< std::string >	otherProperties
	)		const

overridevirtual

Single function to produce fieldFunction function for any two properties, velocity, and species mass fractions. These calls can be slower and should be used for init/output only

Parameters

field
property1
property2

Implements ablate::eos::EOS.

◆ GetSpeciesElementalInformation()

std::map< std::string, std::map< std::string, int > > ablate::eos::TChem::GetSpeciesElementalInformation ( ) const

overridevirtual

no. of atoms of each element in each species

Returns

Reimplemented from ablate::eos::ChemistryModel.

◆ GetSpeciesMolecularMass()

std::map< std::string, double > ablate::eos::TChem::GetSpeciesMolecularMass ( ) const

overridevirtual

the MW of each species

Returns

Reimplemented from ablate::eos::ChemistryModel.

◆ GetThermodynamicFunction()

ablate::eos::ThermodynamicFunction ablate::eos::TChem::GetThermodynamicFunction	(	ThermodynamicProperty	property,
		const std::vector< domain::Field > &	fields
	)		const

overridevirtual

Single function to produce thermodynamic function for any property based upon the available fields

Parameters

property
fields

Returns

Implements ablate::eos::EOS.

◆ GetThermodynamicMassFractionFunction()

ablate::eos::TChem::ThermodynamicMassFractionFunction ablate::eos::TChem::GetThermodynamicMassFractionFunction	(	ThermodynamicProperty	property,
		const std::vector< domain::Field > &	fields
	)		const

Single function to produce thermodynamic function for any property based upon the available fields and yi

Parameters

property
fields

Returns

◆ GetThermodynamicTemperatureFunction()

ablate::eos::ThermodynamicTemperatureFunction ablate::eos::TChem::GetThermodynamicTemperatureFunction	(	ThermodynamicProperty	property,
		const std::vector< domain::Field > &	fields
	)		const

overridevirtual

Single function to produce thermodynamic function for any property based upon the available fields and temperature

Parameters

property
fields

Returns

Implements ablate::eos::EOS.

◆ GetThermodynamicTemperatureMassFractionFunction()

ablate::eos::TChem::ThermodynamicTemperatureMassFractionFunction ablate::eos::TChem::GetThermodynamicTemperatureMassFractionFunction	(	ThermodynamicProperty	property,
		const std::vector< domain::Field > &	fields
	)		const

overridevirtual

Single function to produce thermodynamic function for any property based upon the available fields, temperature and yi

Parameters

property
fields

Returns

Reimplemented from ablate::eos::ChemistryModel.

Member Data Documentation

◆ speciesSizedProperties

const std::set<ThermodynamicProperty> ablate::eos::TChem::speciesSizedProperties = {ThermodynamicProperty::SpeciesSensibleEnthalpy}

protected

Store a list of properties that are sized by species, everything is assumed to be size one

◆ thermodynamicFunctions

std::map<ThermodynamicProperty, std::tuple<ThermodynamicStaticFunction, ThermodynamicTemperatureStaticFunction, std::function<ordinal_type(ordinal_type)> > > ablate::eos::TChem::thermodynamicFunctions

protected

Initial value:

= {
        {ThermodynamicProperty::Density, {DensityFunction, DensityTemperatureFunction, [](auto) { return 0; }}},
        {ThermodynamicProperty::Pressure,
         {PressureFunction, PressureTemperatureFunction, ablate::eos::tChem::Temperature::getWorkSpaceSize}} ,
        {ThermodynamicProperty::Temperature, {TemperatureFunction, TemperatureTemperatureFunction, ablate::eos::tChem::Temperature::getWorkSpaceSize}},
        {ThermodynamicProperty::InternalSensibleEnergy, {InternalSensibleEnergyFunction, InternalSensibleEnergyTemperatureFunction, ablate::eos::tChem::SensibleInternalEnergy::getWorkSpaceSize}},
        {ThermodynamicProperty::SensibleEnthalpy, {SensibleEnthalpyFunction, SensibleEnthalpyTemperatureFunction, ablate::eos::tChem::SensibleEnthalpy::getWorkSpaceSize}},
        {ThermodynamicProperty::SpecificHeatConstantVolume, {SpecificHeatConstantVolumeFunction, SpecificHeatConstantVolumeTemperatureFunction, [](auto nSpec) { return nSpec; }}},
        {ThermodynamicProperty::SpecificHeatConstantPressure,
         {SpecificHeatConstantPressureFunction,
          SpecificHeatConstantPressureTemperatureFunction,
          ablate::eos::tChem::Temperature::getWorkSpaceSize}} ,
        {ThermodynamicProperty::SpeedOfSound, {SpeedOfSoundFunction, SpeedOfSoundTemperatureFunction, ablate::eos::tChem::SpeedOfSound::getWorkSpaceSize}},
        {ThermodynamicProperty::SpeciesSensibleEnthalpy,
         {SpeciesSensibleEnthalpyFunction,
          SpeciesSensibleEnthalpyTemperatureFunction,
          ablate::eos::tChem::Temperature::getWorkSpaceSize}} 
    }

◆ thermodynamicMassFractionFunctions

std::map<ThermodynamicProperty, std::tuple<ThermodynamicStaticMassFractionFunction, ThermodynamicTemperatureStaticMassFractionFunction, std::function<ordinal_type(ordinal_type)> > > ablate::eos::TChem::thermodynamicMassFractionFunctions

protected

Initial value:

= {
            {ThermodynamicProperty::Density, {DensityMassFractionFunction, DensityTemperatureMassFractionFunction, [](auto) { return 0; }}},
            {ThermodynamicProperty::Pressure,
             {PressureMassFractionFunction,
              PressureTemperatureMassFractionFunction,
              ablate::eos::tChem::Temperature::getWorkSpaceSize}} ,
            {ThermodynamicProperty::Temperature, {TemperatureMassFractionFunction, TemperatureTemperatureMassFractionFunction, ablate::eos::tChem::Temperature::getWorkSpaceSize}},
            {ThermodynamicProperty::InternalSensibleEnergy,
             {InternalSensibleEnergyMassFractionFunction, InternalSensibleEnergyTemperatureMassFractionFunction, ablate::eos::tChem::SensibleInternalEnergy::getWorkSpaceSize}},
            {ThermodynamicProperty::SensibleEnthalpy, {SensibleEnthalpyMassFractionFunction, SensibleEnthalpyTemperatureMassFractionFunction, ablate::eos::tChem::SensibleEnthalpy::getWorkSpaceSize}},
            {ThermodynamicProperty::SpecificHeatConstantVolume,
             {SpecificHeatConstantVolumeMassFractionFunction, SpecificHeatConstantVolumeTemperatureMassFractionFunction, [](auto nSpec) { return nSpec; }}},
            {ThermodynamicProperty::SpecificHeatConstantPressure,
             {SpecificHeatConstantPressureMassFractionFunction,
              SpecificHeatConstantPressureTemperatureMassFractionFunction,
              ablate::eos::tChem::Temperature::getWorkSpaceSize}} ,
            {ThermodynamicProperty::SpeedOfSound, {SpeedOfSoundMassFractionFunction, SpeedOfSoundTemperatureMassFractionFunction, ablate::eos::tChem::SpeedOfSound::getWorkSpaceSize}},
            {ThermodynamicProperty::SpeciesSensibleEnthalpy,
             {SpeciesSensibleEnthalpyMassFractionFunction,
              SpeciesSensibleEnthalpyTemperatureMassFractionFunction,
              ablate::eos::tChem::Temperature::getWorkSpaceSize}} 
        }

The documentation for this class was generated from the following files:

src/eos/tChem.hpp
src/eos/tChem.cpp

Classes

Public Member Functions

Protected Types

Protected Member Functions

Static Protected Member Functions

Protected Attributes

Additional Inherited Members

Member Typedef Documentation

◆ ThermodynamicStaticFunction

◆ ThermodynamicStaticMassFractionFunction

Constructor & Destructor Documentation

◆ TChem()

Member Function Documentation

◆ BuildFunctionContext()

◆ CreateSourceCalculator()

◆ FillWorkingVectorFromDensityMassFractions()

◆ FillWorkingVectorFromMassFractions()

◆ GetElementInformation()

◆ GetFieldFunctionFunction()

◆ GetSpeciesElementalInformation()

◆ GetSpeciesMolecularMass()

◆ GetThermodynamicFunction()

◆ GetThermodynamicMassFractionFunction()

◆ GetThermodynamicTemperatureFunction()

◆ GetThermodynamicTemperatureMassFractionFunction()

Member Data Documentation

◆ speciesSizedProperties

◆ thermodynamicFunctions

◆ thermodynamicMassFractionFunctions