Inheritance diagram for ablate::eos::TChemSoot:

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

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

Public Member Functions
	TChemSoot (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

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

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

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

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

std::shared_ptr< FunctionContext >	BuildFunctionContext (ablate::eos::ThermodynamicProperty property, const std::vector< domain::Field > &fields) const

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={})

tChemLib::KineticModelData &	GetKineticModelData ()

real_type_1d_view	GetEnthalpyOfFormation ()

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

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

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

Static Public Member Functions

static void FillWorkingVectorFromDensityMassFractions (double density, double temperature, const double *densityYi, const tChemSoot::StateVectorSoot< real_type_1d_view_host > &stateVector)

static real_type CarbonEnthalpy_R_T (const real_type &Temp)

static double CarbonCp_R (const double &Temp)

static double ComputeSolidCarbonSensibleEnthalpy (double temperature)

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)

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)

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

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

Static Public Attributes
static std::string	CSolidName = "C(S)"

static std::string	SootNumberDensityName = "SootNumberDensity_Mass"

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"

Additional Inherited Members
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

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::TChemSoot::ThermodynamicStaticFunction = PetscErrorCode (*)(const PetscReal conserved[], PetscReal* property, void* ctx)

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

Constructor & Destructor Documentation

◆ TChemSoot()

ablate::eos::TChemSoot::TChemSoot	(	std::filesystem::path	mechanismFile,
		std::shared_ptr< ablate::monitors::logs::Log >	log = `{}`,
		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::TChemSoot::FunctionContext > ablate::eos::TChemSoot::BuildFunctionContext	(	ablate::eos::ThermodynamicProperty	property,
		const std::vector< domain::Field > &	fields
	)		const

helper function to build the function context needed regardless of function type. This is specialized for soot

Template Parameters

Function
Type

Parameters

fields

Returns

◆ ComputeSolidCarbonSensibleEnthalpy()

static double ablate::eos::TChemSoot::ComputeSolidCarbonSensibleEnthalpy ( double temperature )

inlinestatic

static call to compute carbon sensible enthalpy

◆ CreateSourceCalculator()

std::shared_ptr< ablate::eos::ChemistryModel::SourceCalculator > ablate::eos::TChemSoot::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

cellRange

Returns

Implements ablate::eos::ChemistryModel.

◆ FillWorkingVectorFromDensityMassFractions()

void ablate::eos::TChemSoot::FillWorkingVectorFromDensityMassFractions	(	double	density,
		double	temperature,
		const double *	densityYi,
		const tChemSoot::StateVectorSoot< real_type_1d_view_host > &	stateVector
	)

static

Fill and Normalize the density species mass fractions

Parameters

numSpec
yi

◆ GetElementInformation()

std::map< std::string, double > ablate::eos::TChemSoot::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::TChemSoot::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.

◆ GetProgressVariables()

const std::vector<std::string>& ablate::eos::TChemSoot::GetProgressVariables ( ) const

inlineoverridevirtual

TThe tChemSoot also need to track the soot number density

Returns

Reimplemented from ablate::eos::TChemBase.

◆ GetSpeciesElementalInformation()

std::map< std::string, std::map< std::string, int > > ablate::eos::TChemSoot::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::TChemSoot::GetSpeciesMolecularMass ( ) const

overridevirtual

the MW of each species

Returns

Reimplemented from ablate::eos::ChemistryModel.

◆ GetThermodynamicFunction()

ablate::eos::ThermodynamicFunction ablate::eos::TChemSoot::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.

◆ GetThermodynamicTemperatureFunction()

ablate::eos::ThermodynamicTemperatureFunction ablate::eos::TChemSoot::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.

◆ View()

void ablate::eos::TChemSoot::View ( std::ostream & stream ) const

overridevirtual

Print the details of this eos

Parameters

stream

Reimplemented from ablate::eos::TChemBase.

Member Data Documentation

◆ CSolidName

std::string ablate::eos::TChemSoot::CSolidName = "C(S)"

inlinestatic

The name of the solid species

◆ SootNumberDensityName

std::string ablate::eos::TChemSoot::SootNumberDensityName = "SootNumberDensity_Mass"

inlinestatic

The name of the Soot Number Density progress variable

◆ speciesSizedProperties

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

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::TChemSoot::thermodynamicFunctions

Initial value:

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

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

src/eos/tChemSoot.hpp
src/eos/tChemSoot.cpp

Public Types

Public Member Functions

Static Public Member Functions

Public Attributes

Static Public Attributes

Additional Inherited Members

Member Typedef Documentation

◆ ThermodynamicStaticFunction

Constructor & Destructor Documentation

◆ TChemSoot()

Member Function Documentation

◆ BuildFunctionContext()

◆ ComputeSolidCarbonSensibleEnthalpy()

◆ CreateSourceCalculator()

◆ FillWorkingVectorFromDensityMassFractions()

◆ GetElementInformation()

◆ GetFieldFunctionFunction()

◆ GetProgressVariables()

◆ GetSpeciesElementalInformation()

◆ GetSpeciesMolecularMass()

◆ GetThermodynamicFunction()

◆ GetThermodynamicTemperatureFunction()

◆ View()

Member Data Documentation

◆ CSolidName

◆ SootNumberDensityName

◆ speciesSizedProperties

◆ thermodynamicFunctions