A class mimicking the IdealGasMix / Reactor / ReactorNet interface of Cantera, but with FlameMaster chemistry. More...

#include <FlameMasterReactor.hpp>

Public Member Functions
	FlameMasterReactor (const FlameMasterMechanism &mechanism)

	~FlameMasterReactor ()=default

	FlameMasterReactor (const FlameMasterReactor &other)

FlameMasterReactor &	operator= (const FlameMasterReactor &other)

	FlameMasterReactor (FlameMasterReactor &&other) noexcept

FlameMasterReactor &	operator= (FlameMasterReactor &&other) noexcept

void	Advance (double dt, function_ref< void(fub::span< const double >, double, FlameMasterReactor *)> feedbackFun)
	Advance the reactor in time by dt and call a function for each internal timestep. More...

void	Advance (double dt)
	Advance the reactor in time by dt. More...

double	Step ()
	Advance the reactor by one internal time step and return the time step size. More...

double	AdvanceAndFindMaxdT (double dt)
	Advance the reactor in time by dt and return the time where \(dT/dt\) peaked. More...

const FlameMasterMechanism &	getMechanism () const
	Set tolerances for the integration. More...

void	SetOdeSolver (std::unique_ptr< OdeSolver > solver)

const OdeSolver &	GetOdeSolver () const noexcept

span< const double >	GetMassFractions () const
	Return the mass fractions of the species as a double* array. More...

span< const double >	GetMoleFractions ()

const ArrayXd &	GetMassFractionsArray () const

const ArrayXd &	GetMoleFractionsArray ()

double	GetSpeciesMolarMass (size_t i) const
	get the molar mass of a single species More...

span< const double >	GetMolarMasses () const
	get the molar masses for all species More...

double	GetMeanMolarMass () const
	get the overall molar mass More...

Array1d	GetMeanMolarMassArray () const

span< const double >	GetEnthalpies ()
	get the species' enthalpies More...

double	GetEnthalpy () const
	Return the mix'es specific enthalpy. More...

Array1d	GetEnthalpyArray () const

void	SetEnthalpy (double enthalpy, double dTtol)
	Set the mix'es specific enthalpy. More...

double	GetInternalEnergy () const
	Return the mix'es specific internal energy. More...

Array1d	GetInternalEnergyArray () const

void	SetInternalEnergy (double energy, double dTtol=1E-6)
	Set the mix'es specific internal energy. More...

void	SetInternalEnergyArray (Array1d energy, double dTtol=1E-6)

void	SetInternalEnergyArray (Array1d energy, MaskArray mask, double dTtol=1E-6)

span< const double >	GetReactionRates () const
	get the current reaction rates d/dt m, where m denotes the actual mole counts: Y = m * molarMasses / density More...

const ArrayXd &	GetReactionRatesArray () const

span< const double >	GetProductionRates ()

const ArrayXd &	GetProductionRatesArray () const

double	GetUniversalGasConstant () const
	Retrieve the universal gas constant. More...

Thermodynamic properties
double	GetPressure () const
	Returns the pressure of the mixture. More...

Array1d	GetPressureArray () const
	Returns the pressure of the mixture. More...

void	SetPressure (double pressure)
	Set the pressure of the mixture. More...

void	SetPressureArray (Array1d pressure)
	Returns the pressure of the mixture. More...

double	SetPressureIsentropic (double pressure)
	Adjust the pressure of the mixture isentropically. More...

double	GetDensity () const
	Returns the density of the current mixture. More...

Array1d	GetDensityArray () const
	Returns the pressure of the mixture. More...

void	SetDensity (double density)
	Sets the density of the current mixture. More...

void	SetDensityArray (Array1d density)
	Returns the pressure of the mixture. More...

double	GetTemperature () const noexcept
	Returns the temperature of the current mixture. More...

Array1d	GetTemperatureArray () const noexcept
	Returns the pressure of the mixture. More...

void	SetTemperature (double temperature)
	Set the temperature of the current mixture. More...

void	SetTemperatureArray (Array1d temperature)
	Returns the pressure of the mixture. More...

double	GetCv () const
	Return the specific heat capacity cv. More...

Array1d	GetCvArray () const
	Returns the pressure of the mixture. More...

double	GetCp () const
	Return the specific heat capacity cp. More...

Array1d	GetCpArray () const
	Returns the pressure of the mixture. More...

span< const double >	GetCps () const
	Return the specific heat capacities cp for all species. More...

const ArrayXd &	GetCpsArray () const
	Returns the pressure of the mixture. More...

double	GetEntropy () const
	Return the specific entropy. More...

Mass-/Mole fractions
const std::string &	GetSpeciesName (int i) const
	Return the name of the ith species. More...

span< const std::string >	GetSpeciesNames () const
	Return the name of the ith species. More...

int	GetNSpecies () const
	Return the number of species in the mechanism. More...

int	GetNReactions () const
	Return the name of the ith species. More...

double	MeanX (span< const double > quantity) const
	Average a quantity over the mole fractions. More...

Array1d	MeanX (const ArrayXd &quantity) const
	Return the name of the ith species. More...

double	MeanY (span< const double > quantity) const
	Average a quantity over the mass fractions. More...

Array1d	MeanY (const ArrayXd &quantity) const
	Return the name of the ith species. More...

void	SetMassFractions (span< const double > newMassFractions)
	Set the dimensionless mass fractions of the mixture. More...

void	SetMassFractionsArray (const ArrayXd &newMassFractions)
	Return the name of the ith species. More...

void	SetMassFractionsArray (const ArrayXd &newMassFractions, MaskArray mask)
	Return the name of the ith species. More...

void	SetMassFractions (std::string massFractions)
	Return the name of the ith species. More...


void	SetMoleFractions (span< const double > newMoleFractions)
	Set the dimensionless mole fractions of the mixture. More...

void	SetMoleFractionsArray (const ArrayXd &newMoleFractions)
	Set the dimensionless mole fractions of the mixture. More...

void	SetMoleFractions (std::string newMoleFractions)
	Set the dimensionless mole fractions of the mixture. More...

Private Attributes
const FlameMasterMechanism *	mechanism_

FlameMasterState	state_

FlameMasterArrayState	array_state_

std::unique_ptr< OdeSolver >	ode_solver_

Detailed Description

A class mimicking the IdealGasMix / Reactor / ReactorNet interface of Cantera, but with FlameMaster chemistry.

Constructor & Destructor Documentation

◆ FlameMasterReactor() [1/3]

fub::FlameMasterReactor::FlameMasterReactor ( const FlameMasterMechanism & mechanism )

◆ ~FlameMasterReactor()

fub::FlameMasterReactor::~FlameMasterReactor ( )

default

◆ FlameMasterReactor() [2/3]

fub::FlameMasterReactor::FlameMasterReactor ( const FlameMasterReactor & other )

◆ FlameMasterReactor() [3/3]

fub::FlameMasterReactor::FlameMasterReactor ( FlameMasterReactor && other )

noexcept

Member Function Documentation

◆ Advance() [1/2]

void fub::FlameMasterReactor::Advance ( double dt )

Advance the reactor in time by dt.

Parameters

[in] dt The time step size.

Exceptions

FlameMasterReactorException This exception may be thrown if the ode solver could not converge to a solution.

◆ Advance() [2/2]

void fub::FlameMasterReactor::Advance	(	double	dt,
		function_ref< void(fub::span< const double >, double, FlameMasterReactor *)>	feedbackFun
	)

Advance the reactor in time by dt and call a function for each internal timestep.

◆ AdvanceAndFindMaxdT()

double fub::FlameMasterReactor::AdvanceAndFindMaxdT ( double dt )

Advance the reactor in time by dt and return the time where \(dT/dt\) peaked.

◆ GetCp()

double fub::FlameMasterReactor::GetCp ( ) const

Return the specific heat capacity cp.

◆ GetCpArray()

Array1d fub::FlameMasterReactor::GetCpArray ( ) const

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ GetCps()

span<const double> fub::FlameMasterReactor::GetCps ( ) const

Return the specific heat capacities cp for all species.

◆ GetCpsArray()

const ArrayXd& fub::FlameMasterReactor::GetCpsArray ( ) const

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ GetCv()

double fub::FlameMasterReactor::GetCv ( ) const

Return the specific heat capacity cv.

◆ GetCvArray()

Array1d fub::FlameMasterReactor::GetCvArray ( ) const

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ GetDensity()

double fub::FlameMasterReactor::GetDensity ( ) const

inline

Returns the density of the current mixture.

The units are \(kg/m^3\)

◆ GetDensityArray()

Array1d fub::FlameMasterReactor::GetDensityArray ( ) const

inline

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ GetEnthalpies()

span<const double> fub::FlameMasterReactor::GetEnthalpies ( )

get the species' enthalpies

◆ GetEnthalpy()

double fub::FlameMasterReactor::GetEnthalpy ( ) const

Return the mix'es specific enthalpy.

The unit is \(J/kg\)

◆ GetEnthalpyArray()

Array1d fub::FlameMasterReactor::GetEnthalpyArray ( ) const

◆ GetEntropy()

double fub::FlameMasterReactor::GetEntropy ( ) const

Return the specific entropy.

◆ GetInternalEnergy()

double fub::FlameMasterReactor::GetInternalEnergy ( ) const

Return the mix'es specific internal energy.

The unit is \(J/kg\)

◆ GetInternalEnergyArray()

Array1d fub::FlameMasterReactor::GetInternalEnergyArray ( ) const

◆ GetMassFractions()

span<const double> fub::FlameMasterReactor::GetMassFractions ( ) const

inline

Return the mass fractions of the species as a double* array.

◆ GetMassFractionsArray()

const ArrayXd& fub::FlameMasterReactor::GetMassFractionsArray ( ) const

inline

◆ GetMeanMolarMass()

double fub::FlameMasterReactor::GetMeanMolarMass ( ) const

get the overall molar mass

Units are \(kg/kmol\)

◆ GetMeanMolarMassArray()

Array1d fub::FlameMasterReactor::GetMeanMolarMassArray ( ) const

◆ getMechanism()

const FlameMasterMechanism& fub::FlameMasterReactor::getMechanism ( ) const

inline

Set tolerances for the integration.

Defaults are 1e-9 for reltol and 1e-15 for abstol.

◆ GetMolarMasses()

span<const double> fub::FlameMasterReactor::GetMolarMasses ( ) const

inline

get the molar masses for all species

◆ GetMoleFractions()

span<const double> fub::FlameMasterReactor::GetMoleFractions ( )

◆ GetMoleFractionsArray()

const ArrayXd& fub::FlameMasterReactor::GetMoleFractionsArray ( )

◆ GetNReactions()

int fub::FlameMasterReactor::GetNReactions ( ) const

inline

Return the name of the ith species.

◆ GetNSpecies()

int fub::FlameMasterReactor::GetNSpecies ( ) const

inline

Return the number of species in the mechanism.

◆ GetOdeSolver()

const OdeSolver& fub::FlameMasterReactor::GetOdeSolver ( ) const

inlinenoexcept

◆ GetPressure()

double fub::FlameMasterReactor::GetPressure ( ) const

inline

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ GetPressureArray()

Array1d fub::FlameMasterReactor::GetPressureArray ( ) const

inline

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ GetProductionRates()

span<const double> fub::FlameMasterReactor::GetProductionRates ( )

◆ GetProductionRatesArray()

const ArrayXd& fub::FlameMasterReactor::GetProductionRatesArray ( ) const

◆ GetReactionRates()

span<const double> fub::FlameMasterReactor::GetReactionRates ( ) const

get the current reaction rates d/dt m, where m denotes the actual mole counts: Y = m * molarMasses / density

◆ GetReactionRatesArray()

const ArrayXd& fub::FlameMasterReactor::GetReactionRatesArray ( ) const

◆ GetSpeciesMolarMass()

double fub::FlameMasterReactor::GetSpeciesMolarMass ( size_t i ) const

inline

get the molar mass of a single species

Units are \(kg/kmol\)

◆ GetSpeciesName()

const std::string& fub::FlameMasterReactor::GetSpeciesName ( int i ) const

inline

Return the name of the ith species.

◆ GetSpeciesNames()

span<const std::string> fub::FlameMasterReactor::GetSpeciesNames ( ) const

inline

Return the name of the ith species.

◆ GetTemperature()

double fub::FlameMasterReactor::GetTemperature ( ) const

inlinenoexcept

Returns the temperature of the current mixture.

In Kelvin

◆ GetTemperatureArray()

Array1d fub::FlameMasterReactor::GetTemperatureArray ( ) const

inlinenoexcept

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ GetUniversalGasConstant()

double fub::FlameMasterReactor::GetUniversalGasConstant ( ) const

inline

Retrieve the universal gas constant.

Note that some mechanisms can override this, to use normalized quantities!

◆ MeanX() [1/2]

Array1d fub::FlameMasterReactor::MeanX ( const ArrayXd & quantity ) const

Return the name of the ith species.

◆ MeanX() [2/2]

double fub::FlameMasterReactor::MeanX ( span< const double > quantity ) const

Average a quantity over the mole fractions.

◆ MeanY() [1/2]

Array1d fub::FlameMasterReactor::MeanY ( const ArrayXd & quantity ) const

Return the name of the ith species.

◆ MeanY() [2/2]

double fub::FlameMasterReactor::MeanY ( span< const double > quantity ) const

Average a quantity over the mass fractions.

◆ operator=() [1/2]

FlameMasterReactor& fub::FlameMasterReactor::operator= ( const FlameMasterReactor & other )

◆ operator=() [2/2]

FlameMasterReactor& fub::FlameMasterReactor::operator= ( FlameMasterReactor && other )

noexcept

◆ SetDensity()

void fub::FlameMasterReactor::SetDensity ( double density )

inline

Sets the density of the current mixture.

The units are \(kg/m^3\)

◆ SetDensityArray()

void fub::FlameMasterReactor::SetDensityArray ( Array1d density )

inline

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ SetEnthalpy()

void fub::FlameMasterReactor::SetEnthalpy	(	double	enthalpy,
		double	dTtol
	)

Set the mix'es specific enthalpy.

The unit is \(J/kg\). This function actually tries to match the mixtures temperature such that the enthalpy is correct. It does so by using the same Newton algorithm which is also used by Cantera.

◆ SetInternalEnergy()

void fub::FlameMasterReactor::SetInternalEnergy	(	double	energy,
		double	dTtol = `1E-6`
	)

Set the mix'es specific internal energy.

The unit is \(J/kg\). This function actually tries to match the mixtures temperature such that the energy is correct. It does so by using the same Newton algorithm which is also used by Cantera.

◆ SetInternalEnergyArray() [1/2]

void fub::FlameMasterReactor::SetInternalEnergyArray	(	Array1d	energy,
		double	dTtol = `1E-6`
	)

◆ SetInternalEnergyArray() [2/2]

void fub::FlameMasterReactor::SetInternalEnergyArray	(	Array1d	energy,
		MaskArray	mask,
		double	dTtol = `1E-6`
	)

◆ SetMassFractions() [1/2]

void fub::FlameMasterReactor::SetMassFractions ( span< const double > newMassFractions )

Set the dimensionless mass fractions of the mixture.

You can either supply them as a double* array, or as a string of the form species: fraction, species: fraction, ..

◆ SetMassFractions() [2/2]

void fub::FlameMasterReactor::SetMassFractions ( std::string massFractions )

Return the name of the ith species.

◆ SetMassFractionsArray() [1/2]

void fub::FlameMasterReactor::SetMassFractionsArray ( const ArrayXd & newMassFractions )

Return the name of the ith species.

◆ SetMassFractionsArray() [2/2]

void fub::FlameMasterReactor::SetMassFractionsArray	(	const ArrayXd &	newMassFractions,
		MaskArray	mask
	)

Return the name of the ith species.

◆ SetMoleFractions() [1/2]

void fub::FlameMasterReactor::SetMoleFractions ( span< const double > newMoleFractions )

Set the dimensionless mole fractions of the mixture.

You can either supply them as a double* array, or as a string of the form species: fraction, species: fraction, ..

◆ SetMoleFractions() [2/2]

void fub::FlameMasterReactor::SetMoleFractions ( std::string newMoleFractions )

Set the dimensionless mole fractions of the mixture.

You can either supply them as a double* array, or as a string of the form species: fraction, species: fraction, ..

◆ SetMoleFractionsArray()

void fub::FlameMasterReactor::SetMoleFractionsArray ( const ArrayXd & newMoleFractions )

Set the dimensionless mole fractions of the mixture.

You can either supply them as a double* array, or as a string of the form species: fraction, species: fraction, ..

◆ SetOdeSolver()

void fub::FlameMasterReactor::SetOdeSolver ( std::unique_ptr< OdeSolver > solver )

inline

◆ SetPressure()

void fub::FlameMasterReactor::SetPressure ( double pressure )

inline

Set the pressure of the mixture.

This actually sets the density based on the current temperature and mass fractions, using the ideal gas law

The unit for pressure is Pascal.

◆ SetPressureArray()

void fub::FlameMasterReactor::SetPressureArray ( Array1d pressure )

inline

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ SetPressureIsentropic()

double fub::FlameMasterReactor::SetPressureIsentropic ( double pressure )

Adjust the pressure of the mixture isentropically.

Flamemaster does not offer entropy data. However, we still have the relation dH = V dp + T dS, which reduces to dH = V dp in the isentropic case. This function integrates H to the desired p and ensures fixed entropy this way.

The function simultaneously integrates velocity using the relation du = - 1/(c \rho) dp = - sqrt(1/(\gamma p \rho)) dp. This relation is fulfiled across rarefaction waves, and the call allows to use the function to calculate the state behind such a wave.

◆ SetTemperature()

void fub::FlameMasterReactor::SetTemperature ( double temperature )

Set the temperature of the current mixture.

In Kelvin

◆ SetTemperatureArray()

void fub::FlameMasterReactor::SetTemperatureArray ( Array1d temperature )

Returns the pressure of the mixture.

This used the ideal gas law to derive the pressure from temperature, the mass fractions and density.

The unit for pressure is Pascal.

◆ Step()

double fub::FlameMasterReactor::Step ( )

Advance the reactor by one internal time step and return the time step size.

Member Data Documentation

◆ array_state_

FlameMasterArrayState fub::FlameMasterReactor::array_state_

private

◆ mechanism_

const FlameMasterMechanism* fub::FlameMasterReactor::mechanism_

private

◆ ode_solver_

std::unique_ptr<OdeSolver> fub::FlameMasterReactor::ode_solver_

private

◆ state_

FlameMasterState fub::FlameMasterReactor::state_

private

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

FlameMasterReactor.hpp

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ FlameMasterReactor() [1/3]

◆ ~FlameMasterReactor()

◆ FlameMasterReactor() [2/3]

◆ FlameMasterReactor() [3/3]

Member Function Documentation

◆ Advance() [1/2]

◆ Advance() [2/2]

◆ AdvanceAndFindMaxdT()

◆ GetCp()

◆ GetCpArray()

◆ GetCps()

◆ GetCpsArray()

◆ GetCv()

◆ GetCvArray()

◆ GetDensity()

◆ GetDensityArray()

◆ GetEnthalpies()

◆ GetEnthalpy()

◆ GetEnthalpyArray()

◆ GetEntropy()

◆ GetInternalEnergy()

◆ GetInternalEnergyArray()

◆ GetMassFractions()

◆ GetMassFractionsArray()

◆ GetMeanMolarMass()

◆ GetMeanMolarMassArray()

◆ getMechanism()

◆ GetMolarMasses()

◆ GetMoleFractions()

◆ GetMoleFractionsArray()

◆ GetNReactions()

◆ GetNSpecies()

◆ GetOdeSolver()

◆ GetPressure()

◆ GetPressureArray()

◆ GetProductionRates()

◆ GetProductionRatesArray()

◆ GetReactionRates()

◆ GetReactionRatesArray()

◆ GetSpeciesMolarMass()

◆ GetSpeciesName()

◆ GetSpeciesNames()

◆ GetTemperature()

◆ GetTemperatureArray()

◆ GetUniversalGasConstant()

◆ MeanX() [1/2]

◆ MeanX() [2/2]

◆ MeanY() [1/2]

◆ MeanY() [2/2]

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ SetDensity()

◆ SetDensityArray()

◆ SetEnthalpy()

◆ SetInternalEnergy()

◆ SetInternalEnergyArray() [1/2]

◆ SetInternalEnergyArray() [2/2]

◆ SetMassFractions() [1/2]

◆ SetMassFractions() [2/2]

◆ SetMassFractionsArray() [1/2]

◆ SetMassFractionsArray() [2/2]

◆ SetMoleFractions() [1/2]

◆ SetMoleFractions() [2/2]

◆ SetMoleFractionsArray()

◆ SetOdeSolver()

◆ SetPressure()

◆ SetPressureArray()

◆ SetPressureIsentropic()

◆ SetTemperature()

◆ SetTemperatureArray()

◆ Step()

Member Data Documentation

◆ array_state_

◆ mechanism_

◆ ode_solver_

◆ state_