This class represents 1D flow domains that satisfy the one-dimensional similarity solution for chemically-reacting, axisymmetric flows. More...

#include <StFlow.h>

Inheritance diagram for StFlow:

[legend]

Detailed Description

This class represents 1D flow domains that satisfy the one-dimensional similarity solution for chemically-reacting, axisymmetric flows.

Definition at line 44 of file StFlow.h.

Public Member Functions
	StFlow (ThermoPhase *ph=0, size_t nsp=1, size_t points=1)
	Create a new flow domain.

	StFlow (shared_ptr< ThermoPhase > th, size_t nsp=1, size_t points=1)
	Delegating constructor.

	StFlow (shared_ptr< Solution > sol, const string &id="", size_t points=1)
	Create a new flow domain.

string	domainType () const override
	Domain type flag.

string	componentName (size_t n) const override
	Name of the nth component. May be overloaded.

size_t	componentIndex (const string &name) const override
	index of component with name name.

virtual bool	componentActive (size_t n) const
	Returns true if the specified component is an active part of the solver state.

void	show (const double *x) override
	Print the solution.

shared_ptr< SolutionArray >	asArray (const double *soln) const override
	Save the state of this domain as a SolutionArray.

void	fromArray (SolutionArray &arr, double *soln) override
	Restore the solution for this domain from a SolutionArray.

void	setFreeFlow ()
	Set flow configuration for freely-propagating flames, using an internal point with a fixed temperature as the condition to determine the inlet mass flux.

void	setAxisymmetricFlow ()
	Set flow configuration for axisymmetric counterflow flames, using specified inlet mass fluxes.

void	setUnstrainedFlow ()
	Set flow configuration for burner-stabilized flames, using specified inlet mass fluxes.

void	solveEnergyEqn (size_t j=npos)

virtual size_t	getSolvingStage () const
	Get the solving stage (used by IonFlow specialization)

virtual void	setSolvingStage (const size_t stage)
	Solving stage mode for handling ionized species (used by IonFlow specialization)

virtual void	solveElectricField (size_t j=npos)
	Set to solve electric field in a point (used by IonFlow specialization)

virtual void	fixElectricField (size_t j=npos)
	Set to fix voltage in a point (used by IonFlow specialization)

virtual bool	doElectricField (size_t j) const
	Retrieve flag indicating whether electric field is solved or not (used by IonFlow specialization)

void	enableRadiation (bool doRadiation)
	Turn radiation on / off.

bool	radiationEnabled () const
	Returns `true` if the radiation term in the energy equation is enabled.

double	radiativeHeatLoss (size_t j) const
	Return radiative heat loss at grid point j.

void	setBoundaryEmissivities (double e_left, double e_right)
	Set the emissivities for the boundary values.

double	leftEmissivity () const
	Return emissivity at left boundary.

double	rightEmissivity () const
	Return emissivity at right boundary.

void	fixTemperature (size_t j=npos)

bool	doEnergy (size_t j)

void	resize (size_t components, size_t points) override
	Change the grid size. Called after grid refinement.

void	setGas (const double *x, size_t j)
	Set the gas object state to be consistent with the solution at point j.

void	setGasAtMidpoint (const double *x, size_t j)
	Set the gas state to be consistent with the solution at the midpoint between j and j + 1.

double	density (size_t j) const

bool	isFree () const
	Retrieve flag indicating whether flow is freely propagating.

bool	isStrained () const
	Retrieve flag indicating whether flow uses radial momentum.

void	setViscosityFlag (bool dovisc)

void	eval (size_t jGlobal, double xGlobal, double rsdGlobal, integer *diagGlobal, double rdt) override
	Evaluate the residual functions for axisymmetric stagnation flow.

size_t	leftExcessSpecies () const
	Index of the species on the left boundary with the largest mass fraction.

size_t	rightExcessSpecies () const
	Index of the species on the right boundary with the largest mass fraction.

Problem Specification
void	setupGrid (size_t n, const double *z) override
	called to set up initial grid, and after grid refinement

void	resetBadValues (double *xg) override
	When called, this function should reset "bad" values in the state vector such as negative species concentrations.

ThermoPhase &	phase ()

Kinetics &	kinetics ()

void	setKinetics (shared_ptr< Kinetics > kin) override
	Set the kinetics manager.

void	setTransport (shared_ptr< Transport > trans) override
	Set transport model to existing instance.

void	setTransportModel (const string &trans)
	Set the transport model.

string	transportModel () const
	Retrieve transport model.

void	enableSoret (bool withSoret)
	Enable thermal diffusion, also known as Soret diffusion.

bool	withSoret () const

void	setPressure (double p)
	Set the pressure.

double	pressure () const
	The current pressure [Pa].

void	_getInitialSoln (double *x) override
	Write the initial solution estimate into array x.

void	_finalize (const double *x) override
	In some cases, a domain may need to set parameters that depend on the initial solution estimate.

void	setFixedTempProfile (vector< double > &zfixed, vector< double > &tfixed)
	Sometimes it is desired to carry out the simulation using a specified temperature profile, rather than computing it by solving the energy equation.

void	setTemperature (size_t j, double t)
	Set the temperature fixed point at grid point j, and disable the energy equation so that the solution will be held to this value.

double	T_fixed (size_t j) const
	The fixed temperature value at point j.

Public Member Functions inherited from Domain1D
	Domain1D (size_t nv=1, size_t points=1, double time=0.0)
	Constructor.

	Domain1D (const Domain1D &)=delete

Domain1D &	operator= (const Domain1D &)=delete

virtual string	domainType () const
	Domain type flag.

string	type () const
	String indicating the domain implemented.

size_t	domainIndex ()
	The left-to-right location of this domain.

virtual bool	isConnector ()
	True if the domain is a connector domain.

void	setSolution (shared_ptr< Solution > sol)
	Set the solution manager.

virtual void	setKinetics (shared_ptr< Kinetics > kin)
	Set the kinetics manager.

virtual void	setTransport (shared_ptr< Transport > trans)
	Set transport model to existing instance.

const OneDim &	container () const
	The container holding this domain.

void	setContainer (OneDim *c, size_t index)
	Specify the container object for this domain, and the position of this domain in the list.

void	setBandwidth (int bw=-1)
	Set the Jacobian bandwidth. See the discussion of method bandwidth().

size_t	bandwidth ()
	Set the Jacobian bandwidth for this domain.

virtual void	init ()
	Initialize.

virtual void	setInitialState (double *xlocal=0)

virtual void	setState (size_t point, const double state, double x)

virtual void	resetBadValues (double *xg)
	When called, this function should reset "bad" values in the state vector such as negative species concentrations.

virtual void	resize (size_t nv, size_t np)
	Resize the domain to have nv components and np grid points.

Refiner &	refiner ()
	Return a reference to the grid refiner.

size_t	nComponents () const
	Number of components at each grid point.

void	checkComponentIndex (size_t n) const
	Check that the specified component index is in range.

void	checkComponentArraySize (size_t nn) const
	Check that an array size is at least nComponents().

size_t	nPoints () const
	Number of grid points in this domain.

void	checkPointIndex (size_t n) const
	Check that the specified point index is in range.

void	checkPointArraySize (size_t nn) const
	Check that an array size is at least nPoints().

virtual string	componentName (size_t n) const
	Name of the nth component. May be overloaded.

void	setComponentName (size_t n, const string &name)

virtual size_t	componentIndex (const string &name) const
	index of component with name name.

void	setBounds (size_t n, double lower, double upper)

void	setTransientTolerances (double rtol, double atol, size_t n=npos)
	Set tolerances for time-stepping mode.

void	setSteadyTolerances (double rtol, double atol, size_t n=npos)
	Set tolerances for steady-state mode.

double	rtol (size_t n)
	Relative tolerance of the nth component.

double	atol (size_t n)
	Absolute tolerance of the nth component.

double	steady_rtol (size_t n)
	Steady relative tolerance of the nth component.

double	steady_atol (size_t n)
	Steady absolute tolerance of the nth component.

double	transient_rtol (size_t n)
	Transient relative tolerance of the nth component.

double	transient_atol (size_t n)
	Transient absolute tolerance of the nth component.

double	upperBound (size_t n) const
	Upper bound on the nth component.

double	lowerBound (size_t n) const
	Lower bound on the nth component.

void	initTimeInteg (double dt, const double *x0)
	Prepare to do time stepping with time step dt.

void	setSteadyMode ()
	Prepare to solve the steady-state problem.

bool	steady ()
	True if in steady-state mode.

bool	transient ()
	True if not in steady-state mode.

void	needJacUpdate ()
	Set this if something has changed in the governing equations (for example, the value of a constant has been changed, so that the last-computed Jacobian is no longer valid.

virtual void	eval (size_t j, double x, double r, integer *mask, double rdt=0.0)
	Evaluate the residual function at point j.

size_t	index (size_t n, size_t j) const

double	value (const double *x, size_t n, size_t j) const

virtual void	setJac (MultiJac *jac)

virtual shared_ptr< SolutionArray >	asArray (const double *soln) const
	Save the state of this domain as a SolutionArray.

shared_ptr< SolutionArray >	toArray (bool normalize=false) const
	Save the state of this domain to a SolutionArray.

virtual void	fromArray (SolutionArray &arr, double *soln)
	Restore the solution for this domain from a SolutionArray.

void	fromArray (const shared_ptr< SolutionArray > &arr)
	Restore the solution for this domain from a SolutionArray.

shared_ptr< Solution >	solution () const
	Return thermo/kinetics/transport manager used in the domain.

size_t	size () const

void	locate ()
	Find the index of the first grid point in this domain, and the start of its variables in the global solution vector.

virtual size_t	loc (size_t j=0) const
	Location of the start of the local solution vector in the global solution vector,.

size_t	firstPoint () const
	The index of the first (that is, left-most) grid point belonging to this domain.

size_t	lastPoint () const
	The index of the last (that is, right-most) grid point belonging to this domain.

void	linkLeft (Domain1D *left)
	Set the left neighbor to domain 'left.

void	linkRight (Domain1D *right)
	Set the right neighbor to domain 'right.'.

void	append (Domain1D *right)
	Append domain 'right' to this one, and update all links.

Domain1D *	left () const
	Return a pointer to the left neighbor.

Domain1D *	right () const
	Return a pointer to the right neighbor.

double	prevSoln (size_t n, size_t j) const
	Value of component n at point j in the previous solution.

void	setID (const string &s)
	Specify an identifying tag for this domain.

string	id () const

virtual void	show (std::ostream &s, const double *x)
	Print the solution.

virtual void	show (const double *x)
	Print the solution.

double	z (size_t jlocal) const

double	zmin () const

double	zmax () const

void	setProfile (const string &name, double values, double soln)

vector< double > &	grid ()

const vector< double > &	grid () const

double	grid (size_t point) const

virtual void	setupGrid (size_t n, const double *z)
	called to set up initial grid, and after grid refinement

virtual void	_getInitialSoln (double *x)
	Writes some or all initial solution values into the global solution array, beginning at the location pointed to by x.

virtual double	initialValue (size_t n, size_t j)
	Initial value of solution component n at grid point j.

virtual void	_finalize (const double *x)
	In some cases, a domain may need to set parameters that depend on the initial solution estimate.

void	forceFullUpdate (bool update)
	In some cases, for computational efficiency some properties (such as transport coefficients) may not be updated during Jacobian evaluations.

void	setData (shared_ptr< vector< double > > &data)
	Set shared data pointer.

Public Attributes
double	m_zfixed = Undef
	Location of the point where temperature is fixed.

double	m_tfixed = -1.0
	Temperature at the point used to fix the flame location.

Protected Member Functions
AnyMap	getMeta () const override
	Retrieve meta data.

void	setMeta (const AnyMap &state) override
	Retrieve meta data.

double	wdot (size_t k, size_t j) const

virtual void	updateProperties (size_t jg, double *x, size_t jmin, size_t jmax)
	Update the properties (thermo, transport, and diffusion flux).

void	computeRadiation (double *x, size_t jmin, size_t jmax)
	Computes the radiative heat loss vector over points jmin to jmax and stores the data in the qdotRadiation variable.

virtual void	evalContinuity (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)
	Evaluate the continuity equation residual.

virtual void	evalMomentum (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)
	Evaluate the momentum equation residual.

virtual void	evalLambda (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)
	Evaluate the lambda equation residual.

virtual void	evalEnergy (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)
	Evaluate the energy equation residual.

virtual void	evalSpecies (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)
	Evaluate the species equations' residuals.

virtual void	evalElectricField (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)
	Evaluate the electric field equation residual to be zero everywhere.

void	updateThermo (const double *x, size_t j0, size_t j1)
	Update the thermodynamic properties from point j0 to point j1 (inclusive), based on solution x.

double	shear (const double *x, size_t j) const

double	divHeatFlux (const double *x, size_t j) const

size_t	mindex (size_t k, size_t j, size_t m)

virtual void	updateDiffFluxes (const double *x, size_t j0, size_t j1)
	Update the diffusive mass fluxes.

virtual void	grad_hk (const double *x, size_t j)
	Get the gradient of species specific molar enthalpies.

virtual void	updateTransport (double *x, size_t j0, size_t j1)
	Update the transport properties at grid points in the range from `j0` to `j1`, based on solution `x`.

Solution components
double	T (const double *x, size_t j) const

double &	T (double *x, size_t j)

double	T_prev (size_t j) const

double	rho_u (const double *x, size_t j) const

double	u (const double *x, size_t j) const

double	V (const double *x, size_t j) const

double	V_prev (size_t j) const

double	lambda (const double *x, size_t j) const

double	Y (const double *x, size_t k, size_t j) const

double &	Y (double *x, size_t k, size_t j)

double	Y_prev (size_t k, size_t j) const

double	X (const double *x, size_t k, size_t j) const

double	flux (size_t k, size_t j) const

convective spatial derivatives.
These use upwind differencing, assuming u(z) is negative
double	dVdz (const double *x, size_t j) const

double	dYdz (const double *x, size_t k, size_t j) const

double	dTdz (const double *x, size_t j) const

virtual AnyMap	getMeta () const
	Retrieve meta data.

virtual void	setMeta (const AnyMap &meta)
	Retrieve meta data.

Protected Attributes
double	m_press = -1.0

vector< double >	m_dz

vector< double >	m_rho

vector< double >	m_wtm

vector< double >	m_wt

vector< double >	m_cp

vector< double >	m_visc

vector< double >	m_tcon

vector< double >	m_diff
	Array of size m_nsp by m_points for saving density times diffusion coefficient times species molar mass divided by mean molecular weight.

vector< double >	m_multidiff

Array2D	m_dthermal

Array2D	m_flux

Array2D	m_hk
	Array of size m_nsp by m_points for saving molar enthalpies.

Array2D	m_dhk_dz
	Array of size m_nsp by m_points-1 for saving enthalpy fluxes.

Array2D	m_wdot

size_t	m_nsp
	Number of species in the mechanism.

ThermoPhase *	m_thermo = nullptr

Kinetics *	m_kin = nullptr

Transport *	m_trans = nullptr

double	m_epsilon_left = 0.0

double	m_epsilon_right = 0.0

vector< size_t >	m_kRadiating
	Indices within the ThermoPhase of the radiating species.

vector< bool >	m_do_energy

bool	m_do_soret = false

vector< bool >	m_do_species

bool	m_do_multicomponent = false

bool	m_do_radiation = false
	flag for the radiative heat loss

vector< double >	m_qdotRadiation
	radiative heat loss vector

vector< double >	m_fixedtemp

vector< double >	m_zfix

vector< double >	m_tfix

size_t	m_kExcessLeft = 0
	Index of species with a large mass fraction at each boundary, for which the mass fraction may be calculated as 1 minus the sum of the other mass fractions.

size_t	m_kExcessRight = 0

bool	m_dovisc

bool	m_isFree

bool	m_usesLambda

Protected Attributes inherited from Domain1D
shared_ptr< vector< double > >	m_state
	data pointer shared from OneDim

double	m_rdt = 0.0

size_t	m_nv = 0

size_t	m_points
	Number of grid points.

vector< double >	m_slast

vector< double >	m_max

vector< double >	m_min

vector< double >	m_rtol_ss

vector< double >	m_rtol_ts

vector< double >	m_atol_ss

vector< double >	m_atol_ts

vector< double >	m_z

OneDim *	m_container = nullptr

size_t	m_index

size_t	m_iloc = 0
	Starting location within the solution vector for unknowns that correspond to this domain.

size_t	m_jstart = 0

Domain1D *	m_left = nullptr

Domain1D *	m_right = nullptr

string	m_id
	Identity tag for the domain.

unique_ptr< Refiner >	m_refiner

vector< string >	m_name

int	m_bw = -1

bool	m_force_full_update = false

shared_ptr< Solution >	m_solution
	Composite thermo/kinetics/transport handler.

Private Attributes
vector< double >	m_ybar

Constructor & Destructor Documentation

◆ StFlow() [1/3]

StFlow	(	ThermoPhase *	ph = `0`,
		size_t	nsp = `1`,
		size_t	points = `1`
	)

Create a new flow domain.

Parameters

ph	Object representing the gas phase. This object will be used to evaluate all thermodynamic, kinetic, and transport properties.
nsp	Number of species.
points	Initial number of grid points

Definition at line 19 of file StFlow.cpp.

◆ StFlow() [2/3]

StFlow	(	shared_ptr< ThermoPhase >	th,
		size_t	nsp = `1`,
		size_t	points = `1`
	)

Delegating constructor.

Definition at line 92 of file StFlow.cpp.

◆ StFlow() [3/3]

StFlow	(	shared_ptr< Solution >	sol,
		const string &	id = `""`,
		size_t	points = `1`
	)

Create a new flow domain.

Parameters

sol	Solution object used to evaluate all thermodynamic, kinetic, and transport properties
id	name of flow domain
points	initial number of grid points

Definition at line 99 of file StFlow.cpp.

◆ ~StFlow()

~StFlow ( )

Definition at line 117 of file StFlow.cpp.

Member Function Documentation

◆ domainType()

string domainType ( ) const

overridevirtual

Domain type flag.

Since: Starting in Cantera 3.1, the return type is a string.

Reimplemented from Domain1D.

Definition at line 124 of file StFlow.cpp.

◆ setupGrid()

void setupGrid	(	size_t	n,
		const double *	z
	)

overridevirtual

called to set up initial grid, and after grid refinement

Reimplemented from Domain1D.

Definition at line 186 of file StFlow.cpp.

◆ resetBadValues()

void resetBadValues ( double * xg )

overridevirtual

When called, this function should reset "bad" values in the state vector such as negative species concentrations.

This function may be called after a failed solution attempt.

Reimplemented from Domain1D.

Definition at line 201 of file StFlow.cpp.

◆ phase()

ThermoPhase & phase ( )

inline

Definition at line 79 of file StFlow.h.

◆ kinetics()

Kinetics & kinetics ( )

inline

Definition at line 83 of file StFlow.h.

◆ setKinetics()

void setKinetics ( shared_ptr< Kinetics > kin )

overridevirtual

Set the kinetics manager.

Since: New in Cantera 3.0.

Reimplemented from Domain1D.

Definition at line 134 of file StFlow.cpp.

◆ setTransport()

void setTransport ( shared_ptr< Transport > trans )

overridevirtual

Set transport model to existing instance.

Since: New in Cantera 3.0.

Reimplemented from Domain1D.

Definition at line 140 of file StFlow.cpp.

◆ setTransportModel()

void setTransportModel ( const string & trans )

Set the transport model.

Since: New in Cantera 3.0.

Definition at line 211 of file StFlow.cpp.

◆ transportModel()

string transportModel ( ) const

Retrieve transport model.

Since: New in Cantera 3.0.

Definition at line 216 of file StFlow.cpp.

◆ enableSoret()

void enableSoret ( bool withSoret )

inline

Enable thermal diffusion, also known as Soret diffusion.

Requires that multicomponent transport properties be enabled to carry out calculations.

Definition at line 102 of file StFlow.h.

◆ withSoret()

bool withSoret ( ) const

inline

Definition at line 105 of file StFlow.h.

◆ setPressure()

void setPressure ( double p )

inline

Set the pressure.

Since the flow equations are for the limit of small Mach number, the pressure is very nearly constant throughout the flow.

Definition at line 111 of file StFlow.h.

◆ pressure()

double pressure ( ) const

inline

The current pressure [Pa].

Definition at line 116 of file StFlow.h.

◆ _getInitialSoln()

void _getInitialSoln ( double * x )

overridevirtual

Write the initial solution estimate into array x.

Reimplemented from Domain1D.

Definition at line 220 of file StFlow.cpp.

◆ _finalize()

void _finalize ( const double * x )

overridevirtual

In some cases, a domain may need to set parameters that depend on the initial solution estimate.

In such cases, the parameters may be set in method _finalize. This method is called just before the Newton solver is called, and the x array is guaranteed to be the local solution vector for this domain that will be used as the initial guess. If no such parameters need to be set, then method _finalize does not need to be overloaded.

Reimplemented from Domain1D.

Definition at line 249 of file StFlow.cpp.

◆ setFixedTempProfile()

void setFixedTempProfile	(	vector< double > &	zfixed,
		vector< double > &	tfixed
	)

inline

Sometimes it is desired to carry out the simulation using a specified temperature profile, rather than computing it by solving the energy equation.

This method specifies this profile.

Definition at line 128 of file StFlow.h.

◆ setTemperature()

void setTemperature	(	size_t	j,
		double	t
	)

inline

Set the temperature fixed point at grid point j, and disable the energy equation so that the solution will be held to this value.

Definition at line 137 of file StFlow.h.

◆ T_fixed()

double T_fixed ( size_t j ) const

inline

The fixed temperature value at point j.

Definition at line 143 of file StFlow.h.

◆ componentName()

string componentName ( size_t n ) const

overridevirtual

Name of the nth component. May be overloaded.

Reimplemented from Domain1D.

Definition at line 700 of file StFlow.cpp.

◆ componentIndex()

size_t componentIndex ( const string & name ) const

overridevirtual

index of component with name name.

Reimplemented from Domain1D.

Definition at line 722 of file StFlow.cpp.

◆ componentActive()

bool componentActive ( size_t n ) const

virtual

Returns true if the specified component is an active part of the solver state.

Reimplemented in IonFlow.

Definition at line 745 of file StFlow.cpp.

◆ show()

void show ( const double * x )

overridevirtual

Print the solution.

Reimplemented from Domain1D.

Definition at line 643 of file StFlow.cpp.

◆ asArray()

shared_ptr< SolutionArray > asArray ( const double * soln ) const

overridevirtual

Save the state of this domain as a SolutionArray.

Parameters

soln	local solution vector for this domain

Todo:: Despite the method's name, data are copied; the intent is to access data directly in future revisions, where a non-const version will be implemented.

Since: New in Cantera 3.0.

Reimplemented from Domain1D.

Definition at line 808 of file StFlow.cpp.

◆ fromArray()

void fromArray	(	SolutionArray &	arr,
		double *	soln
	)

overridevirtual

Restore the solution for this domain from a SolutionArray.

Parameters

[in]	arr	SolutionArray defining the state of this domain
[out]	soln	Value of the solution vector, local to this domain

Since: New in Cantera 3.0.

Reimplemented from Domain1D.

Definition at line 842 of file StFlow.cpp.

◆ setFreeFlow()

void setFreeFlow ( )

inline

Set flow configuration for freely-propagating flames, using an internal point with a fixed temperature as the condition to determine the inlet mass flux.

Definition at line 164 of file StFlow.h.

◆ setAxisymmetricFlow()

void setAxisymmetricFlow ( )

inline

Set flow configuration for axisymmetric counterflow flames, using specified inlet mass fluxes.

Definition at line 172 of file StFlow.h.

◆ setUnstrainedFlow()

void setUnstrainedFlow ( )

inline

Set flow configuration for burner-stabilized flames, using specified inlet mass fluxes.

Definition at line 180 of file StFlow.h.

◆ solveEnergyEqn()

void solveEnergyEqn ( size_t j = npos )

Definition at line 928 of file StFlow.cpp.

◆ getSolvingStage()

size_t getSolvingStage ( ) const

virtual

Get the solving stage (used by IonFlow specialization)

Since: New in Cantera 3.0

Reimplemented in IonFlow.

Definition at line 952 of file StFlow.cpp.

◆ setSolvingStage()

void setSolvingStage ( const size_t stage )

virtual

Solving stage mode for handling ionized species (used by IonFlow specialization)

stage=1: the fluxes of charged species are set to zero
stage=2: the electric field equation is solved, and the drift flux for ionized species is evaluated

Reimplemented in IonFlow.

Definition at line 958 of file StFlow.cpp.

◆ solveElectricField()

void solveElectricField ( size_t j = npos )

virtual

Set to solve electric field in a point (used by IonFlow specialization)

Reimplemented in IonFlow.

Definition at line 964 of file StFlow.cpp.

◆ fixElectricField()

void fixElectricField ( size_t j = npos )

virtual

Set to fix voltage in a point (used by IonFlow specialization)

Reimplemented in IonFlow.

Definition at line 970 of file StFlow.cpp.

◆ doElectricField()

bool doElectricField ( size_t j ) const

virtual

Retrieve flag indicating whether electric field is solved or not (used by IonFlow specialization)

Reimplemented in IonFlow.

Definition at line 976 of file StFlow.cpp.

◆ enableRadiation()

void enableRadiation ( bool doRadiation )

inline

Turn radiation on / off.

Definition at line 209 of file StFlow.h.

◆ radiationEnabled()

bool radiationEnabled ( ) const

inline

Returns true if the radiation term in the energy equation is enabled.

Definition at line 214 of file StFlow.h.

◆ radiativeHeatLoss()

double radiativeHeatLoss ( size_t j ) const

inline

Return radiative heat loss at grid point j.

Definition at line 219 of file StFlow.h.

◆ setBoundaryEmissivities()

void setBoundaryEmissivities	(	double	e_left,
		double	e_right
	)

Set the emissivities for the boundary values.

Reads the emissivities for the left and right boundary values in the radiative term and writes them into the variables, which are used for the calculation.

Definition at line 982 of file StFlow.cpp.

◆ leftEmissivity()

double leftEmissivity ( ) const

inline

Return emissivity at left boundary.

Definition at line 232 of file StFlow.h.

◆ rightEmissivity()

double rightEmissivity ( ) const

inline

Return emissivity at right boundary.

Definition at line 235 of file StFlow.h.

◆ fixTemperature()

void fixTemperature ( size_t j = npos )

Definition at line 996 of file StFlow.cpp.

◆ doEnergy()

bool doEnergy ( size_t j )

inline

Definition at line 239 of file StFlow.h.

◆ resize()

void resize	(	size_t	components,
		size_t	points
	)

overridevirtual

Change the grid size. Called after grid refinement.

Reimplemented from Domain1D.

Definition at line 160 of file StFlow.cpp.

◆ setGas()

void setGas	(	const double *	x,
		size_t	j
	)

Set the gas object state to be consistent with the solution at point j.

Definition at line 229 of file StFlow.cpp.

◆ setGasAtMidpoint()

void setGasAtMidpoint	(	const double *	x,
		size_t	j
	)

Set the gas state to be consistent with the solution at the midpoint between j and j + 1.

Definition at line 237 of file StFlow.cpp.

◆ density()

double density ( size_t j ) const

inline

Definition at line 253 of file StFlow.h.

◆ isFree()

bool isFree ( ) const

inline

Retrieve flag indicating whether flow is freely propagating.

The flow is unstrained and the axial mass flow rate is not specified. For free flame propagation, the axial velocity is determined by the solver.

Since: New in Cantera 3.0

Definition at line 263 of file StFlow.h.

◆ isStrained()

bool isStrained ( ) const

inline

Retrieve flag indicating whether flow uses radial momentum.

If true, radial momentum equation for \( V \) as well as \( d\Lambda/dz = 0 \) are solved; if false, \( \Lambda(z) = 0 \) and \( V(z) = 0 \) by definition.

Since: New in Cantera 3.0

Definition at line 274 of file StFlow.h.

◆ setViscosityFlag()

void setViscosityFlag ( bool dovisc )

inline

Definition at line 278 of file StFlow.h.

◆ eval()

void eval	(	size_t	jGlobal,
		double *	xGlobal,
		double *	rsdGlobal,
		integer *	diagGlobal,
		double	rdt
	)

overridevirtual

Evaluate the residual functions for axisymmetric stagnation flow.

If jGlobal == npos, the residual function is evaluated at all grid points. Otherwise, the residual function is only evaluated at grid points j-1, j, and j+1. This option is used to efficiently evaluate the Jacobian numerically.

These residuals at all the boundary grid points are evaluated using a default boundary condition that may be modified by a boundary object that is attached to the domain. The boundary object connected will modify these equations by subtracting the boundary object's values for V, T, mdot, etc. As a result, these residual equations will force the solution variables to the values of the connected boundary object.

Parameters

	jGlobal	Global grid point at which to update the residual
[in]	xGlobal	Global state vector
[out]	rsdGlobal	Global residual vector
[out]	diagGlobal	Global boolean mask indicating whether each solution component has a time derivative (1) or not (0).
[in]	rdt	Reciprocal of the timestep (`rdt=0` implies steady-state.)

Reimplemented from Domain1D.

Definition at line 296 of file StFlow.cpp.

◆ leftExcessSpecies()

size_t leftExcessSpecies ( ) const

inline

Index of the species on the left boundary with the largest mass fraction.

Definition at line 306 of file StFlow.h.

◆ rightExcessSpecies()

size_t rightExcessSpecies ( ) const

inline

Index of the species on the right boundary with the largest mass fraction.

Definition at line 311 of file StFlow.h.

◆ getMeta()

AnyMap getMeta ( ) const

overrideprotectedvirtual

Retrieve meta data.

Reimplemented from Domain1D.

Definition at line 759 of file StFlow.cpp.

◆ setMeta()

void setMeta ( const AnyMap & meta )

overrideprotectedvirtual

Retrieve meta data.

Reimplemented from Domain1D.

Definition at line 872 of file StFlow.cpp.

◆ wdot()

double wdot	(	size_t	k,
		size_t	j
	)		const

inlineprotected

Definition at line 319 of file StFlow.h.

◆ updateProperties()

void updateProperties	(	size_t	jg,
		double *	x,
		size_t	jmin,
		size_t	jmax
	)

protectedvirtual

Update the properties (thermo, transport, and diffusion flux).

This function is called in eval after the points which need to be updated are defined.

Definition at line 334 of file StFlow.cpp.

◆ computeRadiation()

void computeRadiation	(	double *	x,
		size_t	jmin,
		size_t	jmax
	)

protected

Computes the radiative heat loss vector over points jmin to jmax and stores the data in the qdotRadiation variable.

The simple radiation model used was established by Liu and Rogg [21]. This model considers the radiation of CO2 and H2O.

This model uses the optically thin limit and the gray-gas approximation to simply calculate a volume specified heat flux out of the Planck absorption coefficients, the boundary emissivities and the temperature. Polynomial lines calculate the species Planck coefficients for H2O and CO2. The data for the lines are taken from the RADCAL program [8]. The coefficients for the polynomials are taken from TNF Workshop material.

Definition at line 358 of file StFlow.cpp.

◆ evalContinuity()

void evalContinuity	(	double *	x,
		double *	rsd,
		int *	diag,
		double	rdt,
		size_t	jmin,
		size_t	jmax
	)

protectedvirtual

Evaluate the continuity equation residual.

This function calculates the residual of the continuity equation

\[ \frac{d(\rho u)}{dz} + 2\rho V = 0 \]

Axisymmetric flame: The continuity equation propagates information from right-to-left. The \( \rho u \) at point 0 is dependent on \( \rho u \) at point 1, but not on \( \dot{m} \) from the inlet.

Freely-propagating flame: The continuity equation propagates information away from a fixed temperature point that is set in the domain.

Unstrained flame: A specified mass flux; the main example being burner-stabilized flames.

The default boundary condition for the continuity equation is ( \( u = 0 \)) at the left and right boundary.

Parameters

[in]	x	Local domain state vector, includes variables like temperature, density, etc.
[out]	rsd	Local domain residual vector that stores the continuity equation residuals.
[out]	diag	Local domain diagonal matrix that controls whether an entry has a time-derivative (used by the solver).
[in]	rdt	Reciprocal of the timestep.
[in]	jmin	The index for the starting point in the local domain grid.
[in]	jmax	The index for the ending point in the local domain grid.

Definition at line 405 of file StFlow.cpp.

◆ evalMomentum()

void evalMomentum	(	double *	x,
		double *	rsd,
		int *	diag,
		double	rdt,
		size_t	jmin,
		size_t	jmax
	)

protectedvirtual

Evaluate the momentum equation residual.

The function calculates the radial momentum equation defined as

\[ \rho u \frac{dV}{dz} + \rho V^2 = \frac{d}{dz}\left( \mu \frac{dV}{dz} \right) - \Lambda \]

The radial momentum equation is used for axisymmetric flows, and incorporates terms for time and spatial variations of radial velocity ( \( V \)). The default boundary condition is zero radial velocity ( \( V \)) at the left and right boundary.

For argument explanation, see evalContinuity().

Definition at line 462 of file StFlow.cpp.

◆ evalLambda()

void evalLambda	(	double *	x,
		double *	rsd,
		int *	diag,
		double	rdt,
		size_t	jmin,
		size_t	jmax
	)

protectedvirtual

Evaluate the lambda equation residual.

The function calculates the lambda equation as

\[ \frac{d\Lambda}{dz} = 0 \]

The lambda equation serves as an eigenvalue that allows the momentum equation and continuity equations to be simultaneously satisfied in axisymmetric flows. The lambda equation propagates information from left-to-right. The default boundary condition is \( \Lambda = 0 \) at the left and zero flux at the right boundary.

For argument explanation, see evalContinuity().

Definition at line 494 of file StFlow.cpp.

◆ evalEnergy()

void evalEnergy	(	double *	x,
		double *	rsd,
		int *	diag,
		double	rdt,
		size_t	jmin,
		size_t	jmax
	)

protectedvirtual

Evaluate the energy equation residual.

The function calculates the energy equation:

\[ \rho c_p u \frac{dT}{dz} = \frac{d}{dz}\left( \lambda \frac{dT}{dz} \right) - \sum_k h_kW_k\dot{\omega}_k - \sum_k j_k \frac{dh_k}{dz} \]

The energy equation includes contributions from chemical reactions and diffusion. Default is zero temperature ( \( T \)) at the left and right boundaries. These boundary values are updated by the specific boundary object connected to the domain.

For argument explanation, see evalContinuity().

Definition at line 522 of file StFlow.cpp.

◆ evalSpecies()

void evalSpecies	(	double *	x,
		double *	rsd,
		int *	diag,
		double	rdt,
		size_t	jmin,
		size_t	jmax
	)

protectedvirtual

Evaluate the species equations' residuals.

The function calculates the species equations as

\[ \rho u \frac{dY_k}{dz} + \frac{dj_k}{dz} = W_k\dot{\omega}_k \]

The species equations include terms for temporal and spatial variations of species mass fractions ( \( Y_k \)). The default boundary condition is zero flux for species at the left and right boundary.

For argument explanation, see evalContinuity().

Reimplemented in IonFlow.

Definition at line 560 of file StFlow.cpp.

◆ evalElectricField()

void evalElectricField	(	double *	x,
		double *	rsd,
		int *	diag,
		double	rdt,
		size_t	jmin,
		size_t	jmax
	)

protectedvirtual

Evaluate the electric field equation residual to be zero everywhere.

The electric field equation is implemented in the IonFlow class. The default boundary condition is zero electric field ( \( E \)) at the boundary, and \( E \) is zero within the domain.

For argument explanation, see evalContinuity().

Reimplemented in IonFlow.

Definition at line 599 of file StFlow.cpp.

◆ updateThermo()

void updateThermo	(	const double *	x,
		size_t	j0,
		size_t	j1
	)

inlineprotected

Update the thermodynamic properties from point j0 to point j1 (inclusive), based on solution x.

The gas state is set to be consistent with the solution at the points from j0 to j1.

Properties that are computed and cached are:

m_rho (density)
m_wtm (mean molecular weight)
m_cp (specific heat capacity)
m_hk (species specific enthalpies)
m_wdot (species production rates)

Definition at line 483 of file StFlow.h.

◆ T() [1/2]

double T	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 497 of file StFlow.h.

◆ T() [2/2]

double & T	(	double *	x,
		size_t	j
	)

inlineprotected

Definition at line 500 of file StFlow.h.

◆ T_prev()

double T_prev ( size_t j ) const

inlineprotected

Definition at line 503 of file StFlow.h.

◆ rho_u()

double rho_u	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 507 of file StFlow.h.

◆ u()

double u	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 511 of file StFlow.h.

◆ V()

double V	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 515 of file StFlow.h.

◆ V_prev()

double V_prev ( size_t j ) const

inlineprotected

Definition at line 518 of file StFlow.h.

◆ lambda()

double lambda	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 522 of file StFlow.h.

◆ Y() [1/2]

double Y	(	const double *	x,
		size_t	k,
		size_t	j
	)		const

inlineprotected

Definition at line 526 of file StFlow.h.

◆ Y() [2/2]

double & Y	(	double *	x,
		size_t	k,
		size_t	j
	)

inlineprotected

Definition at line 530 of file StFlow.h.

◆ Y_prev()

double Y_prev	(	size_t	k,
		size_t	j
	)		const

inlineprotected

Definition at line 534 of file StFlow.h.

◆ X()

double X	(	const double *	x,
		size_t	k,
		size_t	j
	)		const

inlineprotected

Definition at line 538 of file StFlow.h.

◆ flux()

double flux	(	size_t	k,
		size_t	j
	)		const

inlineprotected

Definition at line 542 of file StFlow.h.

◆ dVdz()

double dVdz	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 551 of file StFlow.h.

◆ dYdz()

double dYdz	(	const double *	x,
		size_t	k,
		size_t	j
	)		const

inlineprotected

Definition at line 556 of file StFlow.h.

◆ dTdz()

double dTdz	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 561 of file StFlow.h.

◆ shear()

double shear	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 567 of file StFlow.h.

◆ divHeatFlux()

double divHeatFlux	(	const double *	x,
		size_t	j
	)		const

inlineprotected

Definition at line 573 of file StFlow.h.

◆ mindex()

size_t mindex	(	size_t	k,
		size_t	j,
		size_t	m
	)

inlineprotected

Definition at line 579 of file StFlow.h.

◆ updateDiffFluxes()

void updateDiffFluxes	(	const double *	x,
		size_t	j0,
		size_t	j1
	)

protectedvirtual

Update the diffusive mass fluxes.

Reimplemented in IonFlow.

Definition at line 660 of file StFlow.cpp.

◆ grad_hk()

void grad_hk	(	const double *	x,
		size_t	j
	)

protectedvirtual

Get the gradient of species specific molar enthalpies.

Definition at line 1020 of file StFlow.cpp.

◆ updateTransport()

void updateTransport	(	double *	x,
		size_t	j0,
		size_t	j1
	)

protectedvirtual

Update the transport properties at grid points in the range from j0 to j1, based on solution x.

Reimplemented in IonFlow.

Definition at line 608 of file StFlow.cpp.

Member Data Documentation

◆ m_press

double m_press = -1.0

protected

Definition at line 593 of file StFlow.h.

◆ m_dz

vector<double> m_dz

protected

Definition at line 596 of file StFlow.h.

◆ m_rho

vector<double> m_rho

protected

Definition at line 599 of file StFlow.h.

◆ m_wtm

vector<double> m_wtm

protected

Definition at line 600 of file StFlow.h.

◆ m_wt

vector<double> m_wt

protected

Definition at line 603 of file StFlow.h.

◆ m_cp

vector<double> m_cp

protected

Definition at line 604 of file StFlow.h.

◆ m_visc

vector<double> m_visc

protected

Definition at line 607 of file StFlow.h.

◆ m_tcon

vector<double> m_tcon

protected

Definition at line 608 of file StFlow.h.

◆ m_diff

vector<double> m_diff

protected

Array of size m_nsp by m_points for saving density times diffusion coefficient times species molar mass divided by mean molecular weight.

Definition at line 611 of file StFlow.h.

◆ m_multidiff

vector<double> m_multidiff

protected

Definition at line 612 of file StFlow.h.

◆ m_dthermal

Array2D m_dthermal

protected

Definition at line 613 of file StFlow.h.

◆ m_flux

Array2D m_flux

protected

Definition at line 614 of file StFlow.h.

◆ m_hk

Array2D m_hk

protected

Array of size m_nsp by m_points for saving molar enthalpies.

Definition at line 617 of file StFlow.h.

◆ m_dhk_dz

Array2D m_dhk_dz

protected

Array of size m_nsp by m_points-1 for saving enthalpy fluxes.

Definition at line 620 of file StFlow.h.

◆ m_wdot

Array2D m_wdot

protected

Definition at line 623 of file StFlow.h.

◆ m_nsp

size_t m_nsp

protected

Number of species in the mechanism.

Definition at line 625 of file StFlow.h.

◆ m_thermo

ThermoPhase* m_thermo = nullptr

protected

Definition at line 627 of file StFlow.h.

◆ m_kin

Kinetics* m_kin = nullptr

protected

Definition at line 628 of file StFlow.h.

◆ m_trans

Transport* m_trans = nullptr

protected

Definition at line 629 of file StFlow.h.

◆ m_epsilon_left

double m_epsilon_left = 0.0

protected

Definition at line 632 of file StFlow.h.

◆ m_epsilon_right

double m_epsilon_right = 0.0

protected

Definition at line 633 of file StFlow.h.

◆ m_kRadiating

vector<size_t> m_kRadiating

protected

Indices within the ThermoPhase of the radiating species.

First index is for CO2, second is for H2O.

Definition at line 637 of file StFlow.h.

◆ m_do_energy

vector<bool> m_do_energy

protected

Definition at line 640 of file StFlow.h.

◆ m_do_soret

bool m_do_soret = false

protected

Definition at line 641 of file StFlow.h.

◆ m_do_species

vector<bool> m_do_species

protected

Definition at line 642 of file StFlow.h.

◆ m_do_multicomponent

bool m_do_multicomponent = false

protected

Definition at line 643 of file StFlow.h.

◆ m_do_radiation

bool m_do_radiation = false

protected

flag for the radiative heat loss

Definition at line 646 of file StFlow.h.

◆ m_qdotRadiation

vector<double> m_qdotRadiation

protected

radiative heat loss vector

Definition at line 649 of file StFlow.h.

◆ m_fixedtemp

vector<double> m_fixedtemp

protected

Definition at line 652 of file StFlow.h.

◆ m_zfix

vector<double> m_zfix

protected

Definition at line 653 of file StFlow.h.

◆ m_tfix

vector<double> m_tfix

protected

Definition at line 654 of file StFlow.h.

◆ m_kExcessLeft

size_t m_kExcessLeft = 0

protected

Index of species with a large mass fraction at each boundary, for which the mass fraction may be calculated as 1 minus the sum of the other mass fractions.

Definition at line 659 of file StFlow.h.

◆ m_kExcessRight

size_t m_kExcessRight = 0

protected

Definition at line 660 of file StFlow.h.

◆ m_dovisc

bool m_dovisc

protected

Definition at line 662 of file StFlow.h.

◆ m_isFree

bool m_isFree

protected

Definition at line 663 of file StFlow.h.

◆ m_usesLambda

bool m_usesLambda

protected

Definition at line 664 of file StFlow.h.

◆ m_zfixed

double m_zfixed = Undef

Location of the point where temperature is fixed.

Definition at line 672 of file StFlow.h.

◆ m_tfixed

double m_tfixed = -1.0

Temperature at the point used to fix the flame location.

Definition at line 675 of file StFlow.h.

◆ m_ybar

vector<double> m_ybar

private

Definition at line 678 of file StFlow.h.

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

Detailed Description

Public Member Functions

Public Attributes

Protected Member Functions

Protected Attributes

Private Attributes

Constructor & Destructor Documentation

◆ StFlow() [1/3]

◆ StFlow() [2/3]

◆ StFlow() [3/3]

◆ ~StFlow()

Member Function Documentation

◆ domainType()

◆ setupGrid()

◆ resetBadValues()

◆ phase()

◆ kinetics()

◆ setKinetics()

◆ setTransport()

◆ setTransportModel()

◆ transportModel()

◆ enableSoret()

◆ withSoret()

◆ setPressure()

◆ pressure()

◆ _getInitialSoln()

◆ _finalize()

◆ setFixedTempProfile()

◆ setTemperature()

◆ T_fixed()

◆ componentName()

◆ componentIndex()

◆ componentActive()

◆ show()

◆ asArray()

◆ fromArray()

◆ setFreeFlow()

◆ setAxisymmetricFlow()

◆ setUnstrainedFlow()

◆ solveEnergyEqn()

◆ getSolvingStage()

◆ setSolvingStage()

◆ solveElectricField()

◆ fixElectricField()

◆ doElectricField()

◆ enableRadiation()

◆ radiationEnabled()

◆ radiativeHeatLoss()

◆ setBoundaryEmissivities()

◆ leftEmissivity()

◆ rightEmissivity()

◆ fixTemperature()

◆ doEnergy()

◆ resize()

◆ setGas()

◆ setGasAtMidpoint()

◆ density()

◆ isFree()

◆ isStrained()

◆ setViscosityFlag()

◆ eval()

◆ leftExcessSpecies()

◆ rightExcessSpecies()

◆ getMeta()

◆ setMeta()

◆ wdot()

◆ updateProperties()

◆ computeRadiation()

◆ evalContinuity()

◆ evalMomentum()

◆ evalLambda()

◆ evalEnergy()

◆ evalSpecies()

◆ evalElectricField()

◆ updateThermo()

◆ T() [1/2]

◆ T() [2/2]

◆ T_prev()

◆ rho_u()

◆ u()