This class models the ion transportation in a flame. More...

#include <IonFlow.h>

Inheritance diagram for IonFlow:

Collaboration diagram for IonFlow:

Public Member Functions
	IonFlow (IdealGasPhase *ph=0, size_t nsp=1, size_t points=1)

virtual void	setSolvingStage (const size_t phase)
	set the solving stage More...

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

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

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

void	solveElectricField (size_t j=npos)
	set to solve electric field on a point More...

void	fixElectricField (size_t j=npos)
	set to fix voltage on a point More...

bool	doElectricField (size_t j)

void	setElectronTransport (vector_fp &tfix, vector_fp &diff_e, vector_fp &mobi_e)
	Sometimes it is desired to carry out the simulation using a specified electron transport profile, rather than assuming it as a constant (0.4). More...

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

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

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

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

virtual void	showSolution (const doublereal *x)
	Print the solution. More...

virtual XML_Node &	save (XML_Node &o, const doublereal *const sol)
	Save the current solution for this domain into an XML_Node. More...

virtual void	restore (const XML_Node &dom, doublereal *soln, int loglevel)
	Restore the solution for this domain from an XML_Node. More...

virtual AnyMap	serialize (const double *soln) const
	Save the state of this domain as an AnyMap. More...

virtual void	restore (const AnyMap &state, double *soln, int loglevel)
	Restore the solution for this domain from an AnyMap. More...

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. More...

void	setAxisymmetricFlow ()
	Set flow configuration for axisymmetric counterflow or burner-stabilized flames, using specified inlet mass fluxes. More...

virtual std::string	flowType () const
	Return the type of flow domain being represented, either "Free Flame" or "Axisymmetric Stagnation". More...

void	solveEnergyEqn (size_t j=npos)

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

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

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

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

double	leftEmissivity () const
	Return emissivitiy at left boundary. More...

double	rightEmissivity () const
	Return emissivitiy at right boundary. More...

void	fixTemperature (size_t j=npos)

bool	doEnergy (size_t j)

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

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

doublereal	density (size_t j) const

virtual bool	fixed_mdot ()

void	setViscosityFlag (bool dovisc)

virtual void	eval (size_t j, doublereal x, doublereal r, integer *mask, doublereal rdt)

virtual void	evalRightBoundary (double x, double res, int *diag, double rdt)
	Evaluate all residual components at the right boundary. More...

virtual void	evalContinuity (size_t j, double x, double r, int *diag, double rdt)
	Evaluate the residual corresponding to the continuity equation at all interior grid points. More...

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

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

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

virtual void	resetBadValues (double *xg)

ThermoPhase &	phase ()

Kinetics &	kinetics ()

void	setThermo (IdealGasPhase &th)
	Set the thermo manager. More...

void	setKinetics (Kinetics &kin)
	Set the kinetics manager. The kinetics manager must. More...

void	setTransport (Transport &trans)
	set the transport manager More...

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

bool	withSoret () const

void	setPressure (doublereal p)
	Set the pressure. More...

doublereal	pressure () const
	The current pressure [Pa]. More...

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

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

void	setTemperature (size_t j, doublereal t)

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

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

	Domain1D (const Domain1D &)=delete

Domain1D &	operator= (const Domain1D &)=delete

int	domainType ()
	Domain type flag. More...

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

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

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

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

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

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

virtual void	init ()

virtual void	setInitialState (doublereal *xlocal=0)

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

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

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

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

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

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

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

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

void	setComponentName (size_t n, const std::string &name)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

void	needJacUpdate ()

size_t	index (size_t n, size_t j) const

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

virtual void	setJac (MultiJac *jac)

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. More...

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

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

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

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

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

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

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

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

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

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

std::string	id () const

virtual void	showSolution_s (std::ostream &s, const doublereal *x)

doublereal	z (size_t jlocal) const

doublereal	zmin () const

doublereal	zmax () const

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

vector_fp &	grid ()

const vector_fp &	grid () const

doublereal	grid (size_t point) const

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

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

Protected Member Functions
virtual void	evalResidual (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)

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`. More...

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

virtual void	frozenIonMethod (const double *x, size_t j0, size_t j1)
	Solving phase one: the fluxes of charged species are turned off. More...

virtual void	electricFieldMethod (const double *x, size_t j0, size_t j1)
	Solving phase two: the electric field equation is added coupled by the electrical drift. More...

double	E (const double *x, size_t j) const
	electric field More...

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

double	ND (const double *x, size_t k, size_t j) const
	number density More...

double	rho_e (double *x, size_t j) const
	total charge density More...

Protected Member Functions inherited from StFlow
doublereal	wdot (size_t k, size_t j) const

void	getWdot (doublereal *x, size_t j)
	Write the net production rates at point `j` into array `m_wdot` More...

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

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

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

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

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

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

doublereal &	T (doublereal *x, size_t j)

doublereal	T_prev (size_t j) const

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

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

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

doublereal	V_prev (size_t j) const

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

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

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

doublereal	Y_prev (size_t k, size_t j) const

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

doublereal	flux (size_t k, size_t j) const

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

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

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

Protected Attributes
std::vector< bool >	m_do_electric_field
	flag for solving electric field or not More...

bool	m_import_electron_transport
	flag for importing transport of electron More...

vector_fp	m_speciesCharge
	electrical properties More...

std::vector< size_t >	m_kCharge
	index of species with charges More...

std::vector< size_t >	m_kNeutral
	index of neutral species More...

vector_fp	m_mobi_e_fix
	coefficients of polynomial fitting of fixed electron transport profile More...

vector_fp	m_diff_e_fix

vector_fp	m_mobility
	mobility More...

size_t	m_stage
	solving stage More...

size_t	m_kElectron
	index of electron More...

Protected Attributes inherited from StFlow
doublereal	m_press

vector_fp	m_dz

vector_fp	m_rho

vector_fp	m_wtm

vector_fp	m_wt

vector_fp	m_cp

vector_fp	m_visc

vector_fp	m_tcon

vector_fp	m_diff

vector_fp	m_multidiff

Array2D	m_dthermal

Array2D	m_flux

Array2D	m_wdot

size_t	m_nsp

IdealGasPhase *	m_thermo

Kinetics *	m_kin

Transport *	m_trans

doublereal	m_epsilon_left

doublereal	m_epsilon_right

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

std::vector< bool >	m_do_energy

bool	m_do_soret

std::vector< bool >	m_do_species

bool	m_do_multicomponent

bool	m_do_radiation
	flag for the radiative heat loss More...

vector_fp	m_qdotRadiation
	radiative heat loss vector More...

vector_fp	m_fixedtemp

vector_fp	m_zfix

vector_fp	m_tfix

size_t	m_kExcessLeft
	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. More...

size_t	m_kExcessRight

bool	m_dovisc

Protected Attributes inherited from Domain1D
doublereal	m_rdt

size_t	m_nv

size_t	m_points

vector_fp	m_slast

vector_fp	m_max

vector_fp	m_min

vector_fp	m_rtol_ss

vector_fp	m_rtol_ts

vector_fp	m_atol_ss

vector_fp	m_atol_ts

vector_fp	m_z

OneDim *	m_container

size_t	m_index

int	m_type

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

size_t	m_jstart

Domain1D *	m_left

Domain1D *	m_right

std::string	m_id
	Identity tag for the domain. More...

std::unique_ptr< Refiner >	m_refiner

std::vector< std::string >	m_name

int	m_bw

bool	m_force_full_update

Additional Inherited Members
Public Attributes inherited from StFlow
double	m_zfixed
	Location of the point where temperature is fixed. More...

double	m_tfixed
	Temperature at the point used to fix the flame location. More...

Detailed Description

This class models the ion transportation in a flame.

There are three stages of the simulation.

The first stage turns off the diffusion of ions due to the fast diffusion rate of electron without internal electric forces (ambi- polar diffusion effect).

The second stage evaluates drift flux from electric field calculated from Poisson's equation, which is solved together with other equations. Poisson's equation is coupled because the total charge densities depends on the species' concentration. Reference: Pederson, Timothy, and R. C. Brown. "Simulation of electric field effects in premixed methane flames." Combustion and Flames 94.4(1993): 433-448.

Definition at line 31 of file IonFlow.h.

Constructor & Destructor Documentation

◆ IonFlow()

IonFlow	(	IdealGasPhase *	ph = `0`,
		size_t	nsp = `1`,
		size_t	points = `1`
	)

Definition at line 20 of file IonFlow.cpp.

Member Function Documentation

◆ setSolvingStage()

void setSolvingStage ( const size_t phase )

virtual

set the solving stage

Definition at line 169 of file IonFlow.cpp.

◆ resize()

void resize	(	size_t	components,
		size_t	points
	)

virtual

Change the grid size. Called after grid refinement.

Reimplemented from StFlow.

Definition at line 61 of file IonFlow.cpp.

◆ componentActive()

bool componentActive ( size_t n ) const

virtual

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

Reimplemented from StFlow.

Definition at line 68 of file IonFlow.cpp.

◆ _finalize()

void _finalize ( const double * x )

virtual

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 StFlow.

Definition at line 283 of file IonFlow.cpp.

◆ solveElectricField()

void solveElectricField ( size_t j = npos )

set to solve electric field on a point

Definition at line 216 of file IonFlow.cpp.

References Cantera::npos.

◆ fixElectricField()

void fixElectricField ( size_t j = npos )

set to fix voltage on a point

Definition at line 241 of file IonFlow.cpp.

References Cantera::npos.

◆ doElectricField()

bool doElectricField ( size_t j )

inline

Definition at line 46 of file IonFlow.h.

◆ setElectronTransport()

void setElectronTransport	(	vector_fp &	tfix,
		vector_fp &	diff_e,
		vector_fp &	mobi_e
	)

Sometimes it is desired to carry out the simulation using a specified electron transport profile, rather than assuming it as a constant (0.4).

Reference: Bisetti, Fabrizio, and Mbark El Morsli. "Calculation and analysis of the mobility and diffusion coefficient of thermal electrons in methane/air premixed flames." Combustion and flame 159.12 (2012): 3518-3521. If in the future the class GasTranport is improved, this method may be discard. This method specifies this profile.

Definition at line 266 of file IonFlow.cpp.

References Cantera::polyfit().

◆ evalResidual()

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

protectedvirtual

This function overloads the original function. The residual function of electric field is added.

Reimplemented from StFlow.

Definition at line 181 of file IonFlow.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 from StFlow.

Definition at line 77 of file IonFlow.cpp.

References Cantera::poly5().

◆ updateDiffFluxes()

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

protectedvirtual

Update the diffusive mass fluxes.

Reimplemented from StFlow.

Definition at line 92 of file IonFlow.cpp.

◆ frozenIonMethod()

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

protectedvirtual

Solving phase one: the fluxes of charged species are turned off.

Definition at line 102 of file IonFlow.cpp.

◆ electricFieldMethod()

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

protectedvirtual

Solving phase two: the electric field equation is added coupled by the electrical drift.

Definition at line 129 of file IonFlow.cpp.

◆ E()

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

inlineprotected

electric field

Definition at line 108 of file IonFlow.h.

◆ dEdz()

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

inlineprotected

Definition at line 112 of file IonFlow.h.

◆ ND()

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

inlineprotected

number density

Definition at line 117 of file IonFlow.h.

References Cantera::Avogadro.

Referenced by IonFlow::rho_e().

◆ rho_e()

double rho_e	(	double *	x,
		size_t	j
	)		const

inlineprotected

total charge density

Definition at line 122 of file IonFlow.h.

References Cantera::ElectronCharge, IonFlow::m_kCharge, IonFlow::m_speciesCharge, and IonFlow::ND().

Member Data Documentation

◆ m_do_electric_field

std::vector<bool> m_do_electric_field

protected

flag for solving electric field or not

Definition at line 80 of file IonFlow.h.

◆ m_import_electron_transport

bool m_import_electron_transport

protected

flag for importing transport of electron

Definition at line 83 of file IonFlow.h.

◆ m_speciesCharge

vector_fp m_speciesCharge

protected

electrical properties

Definition at line 86 of file IonFlow.h.

Referenced by IonFlow::rho_e().

◆ m_kCharge

std::vector<size_t> m_kCharge

protected

index of species with charges

Definition at line 89 of file IonFlow.h.

Referenced by IonFlow::rho_e().

◆ m_kNeutral

std::vector<size_t> m_kNeutral

protected

index of neutral species

Definition at line 92 of file IonFlow.h.

◆ m_mobi_e_fix

vector_fp m_mobi_e_fix

protected

coefficients of polynomial fitting of fixed electron transport profile

Definition at line 95 of file IonFlow.h.

◆ m_diff_e_fix

vector_fp m_diff_e_fix

protected

Definition at line 96 of file IonFlow.h.

◆ m_mobility

vector_fp m_mobility

protected

mobility

Definition at line 99 of file IonFlow.h.

◆ m_stage

size_t m_stage

protected

solving stage

Definition at line 102 of file IonFlow.h.

◆ m_kElectron

size_t m_kElectron

protected

index of electron

Definition at line 105 of file IonFlow.h.

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

Public Member Functions

Protected Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ IonFlow()

Member Function Documentation

◆ setSolvingStage()

◆ resize()

◆ componentActive()

◆ _finalize()

◆ solveElectricField()

◆ fixElectricField()

◆ doElectricField()

◆ setElectronTransport()

◆ evalResidual()

◆ updateTransport()

◆ updateDiffFluxes()

◆ frozenIonMethod()

◆ electricFieldMethod()

◆ E()

◆ dEdz()

◆ ND()

◆ rho_e()

Member Data Documentation

◆ m_do_electric_field

◆ m_import_electron_transport

◆ m_speciesCharge

◆ m_kCharge

◆ m_kNeutral

◆ m_mobi_e_fix

◆ m_diff_e_fix

◆ m_mobility

◆ m_stage

◆ m_kElectron