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

#include <Flow1D.h>

Inheritance diagram for Flow1D:

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Detailed Description

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

Definition at line 45 of file Flow1D.h.

Public Member Functions
	Flow1D (ThermoPhase *ph=0, size_t nsp=1, size_t points=1)
	Create a new flow domain.

	Flow1D (shared_ptr< ThermoPhase > th, size_t nsp=1, size_t points=1)
	Delegating constructor.

	Flow1D (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 component `n`. 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)
	Specify that the energy equation should be solved at point `j`.

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)
	Specify that the the temperature should be held fixed at point `j`.

bool	doEnergy (size_t j)
	`true` if the energy equation is solved at point `j` or `false` if a fixed temperature condition is imposed.

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
	Get the density [kg/m³] at point `j`

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)
	Specify if the viscosity term should be included in the momentum equation.

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 ()
	Access the phase object used to compute thermodynamic properties for points in this domain.

Kinetics &	kinetics ()
	Access the Kinetics object used to compute reaction rates for points in this domain.

void	setKinetics (shared_ptr< Kinetics > kin) override
	Set the Kinetics object used for reaction rate calculations.

void	setTransport (shared_ptr< Transport > trans) override
	Set the transport manager used for transport property calculations.

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
	Indicates if thermal diffusion (Soret effect) term is being calculated.

void	setFluxGradientBasis (ThermoBasis fluxGradientBasis)
	Compute species diffusive fluxes with respect to their mass fraction gradients (fluxGradientBasis = ThermoBasis::mass) or mole fraction gradients (fluxGradientBasis = ThermoBasis::molar, default) when using the mixture-averaged transport model.

ThermoBasis	fluxGradientBasis () const
	Compute species diffusive fluxes with respect to their mass fraction gradients (fluxGradientBasis = ThermoBasis::mass) or mole fraction gradients (fluxGradientBasis = ThermoBasis::molar, default) when using the mixture-averaged transport model.

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.

Two-Point control method
In this method two control points are designated in the 1D domain, and the value of the temperature at these points is fixed. The values of the control points are imposed and thus serve as a boundary condition that affects the solution of the governing equations in the 1D domain. The imposition of fixed points in the domain means that the original set of governing equations' boundary conditions would over-determine the problem. Thus, the boundary conditions are changed to reflect the fact that the control points are serving as internal boundary conditions. The imposition of the two internal boundary conditions requires that two other boundary conditions be changed. The first is the boundary condition for the continuity equation at the left boundary, which is changed to be a value that is derived from the solution at the left boundary. The second is the continuity boundary condition at the right boundary, which is also determined from the flow solution by using the oxidizer axial velocity equation variable to compute the mass flux at the right boundary. This method is based on the work of Nishioka et al. [32] .
double	leftControlPointTemperature () const
	Returns the temperature at the left control point.

double	leftControlPointCoordinate () const
	Returns the z-coordinate of the left control point.

void	setLeftControlPointTemperature (double temperature)
	Sets the temperature of the left control point.

void	setLeftControlPointCoordinate (double z_left)
	Sets the coordinate of the left control point.

double	rightControlPointTemperature () const
	Returns the temperature at the right control point.

double	rightControlPointCoordinate () const
	Returns the z-coordinate of the right control point.

void	setRightControlPointTemperature (double temperature)
	Sets the temperature of the right control point.

void	setRightControlPointCoordinate (double z_right)
	Sets the coordinate of the right control point.

void	enableTwoPointControl (bool twoPointControl)
	Sets the status of the two-point control.

bool	twoPointControlEnabled () const
	Returns the status of the two-point control.

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 component `n`. May be overloaded.

void	setComponentName (size_t n, const string &name)
	Set the name of the component `n` to `name`.

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

void	setBounds (size_t n, double lower, double upper)
	Set the upper and lower bounds for a solution component, n.

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)
	Performs the setup required before starting a time-stepping solution.

void	setSteadyMode ()
	Set the internally-stored reciprocal of the time step to 0.0, which is used to indicate that the problem is in steady-state mode.

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
	Returns the index of the solution vector, which corresponds to component n at grid point j.

double	value (const double *x, size_t n, size_t j) const
	Returns the value of solution component n at grid point j of the solution vector x.

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
	Return the size of the solution vector (the product of m_nv and m_points).

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
	Returns the identifying tag for this domain.

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
	Get the coordinate [m] of the point with local index `jlocal`

double	zmin () const
	Get the coordinate [m] of the first (leftmost) grid point in this domain.

double	zmax () const
	Get the coordinate [m] of the last (rightmost) grid point in this domain.

void	setProfile (const string &name, double values, double soln)
	Set initial values for a component at each grid point.

vector< double > &	grid ()
	Access the array of grid coordinates [m].

const vector< double > &	grid () const
	Access the array of grid coordinates [m].

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.

virtual void	evalContinuity (size_t j, double x, double r, int *diag, double rdt)
	Alternate version of evalContinuity with legacy signature.

virtual void	evalUo (double x, double rsd, int *diag, double rdt, size_t jmin, size_t jmax)
	Evaluate the oxidizer axial velocity equation residual.

double	shear (const double *x, size_t j) const
	Compute the shear term from the momentum equation using a central three-point differencing scheme.

double	conduction (const double *x, size_t j) const
	Compute the conduction term from the energy equation using a central three-point differencing scheme.

size_t	mindex (size_t k, size_t j, size_t m)
	Array access mapping for a 3D array stored in a 1D vector.

virtual void	grad_hk (const double *x, size_t j)
	Compute the spatial derivative of species specific molar enthalpies using upwind differencing.

Updates of cached properties
These methods are called by eval() to update cached properties and data that are used for the evaluation of the governing equations.
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.

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`.

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

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.

Governing Equations
Methods called by eval() to calculate residuals for individual governing equations.
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.

Solution components
double	T (const double *x, size_t j) const
	Get the temperature at point `j` from the local state vector `x`.

double &	T (double *x, size_t j)
	Get the temperature at point `j` from the local state vector `x`.

double	T_prev (size_t j) const
	Get the temperature at point `j` from the previous time step.

double	rho_u (const double *x, size_t j) const
	Get the axial mass flux [kg/m²/s] at point `j` from the local state vector `x`.

double	u (const double *x, size_t j) const
	Get the axial velocity [m/s] at point `j` from the local state vector `x`.

double	V (const double *x, size_t j) const
	Get the spread rate (tangential velocity gradient) [1/s] at point `j` from the local state vector `x`.

double	V_prev (size_t j) const
	Get the spread rate [1/s] at point `j` from the previous time step.

double	lambda (const double *x, size_t j) const
	Get the radial pressure gradient [N/m⁴] at point `j` from the local state vector `x`

double	Uo (const double *x, size_t j) const
	Get the oxidizer inlet velocity [m/s] linked to point `j` from the local state vector `x`.

double	Y (const double *x, size_t k, size_t j) const
	Get the mass fraction of species `k` at point `j` from the local state vector `x`.

double &	Y (double *x, size_t k, size_t j)
	Get the mass fraction of species `k` at point `j` from the local state vector `x`.

double	Y_prev (size_t k, size_t j) const
	Get the mass fraction of species `k` at point `j` from the previous time step.

double	X (const double *x, size_t k, size_t j) const
	Get the mole fraction of species `k` at point `j` from the local state vector `x`.

double	flux (size_t k, size_t j) const
	Get the diffusive mass flux [kg/m²/s] of species `k` at point `j`

Convective spatial derivatives
These methods use upwind differencing to calculate spatial derivatives for velocity, species mass fractions, and temperature. Upwind differencing is a numerical discretization method that considers the direction of the flow to improve stability.
double	dVdz (const double *x, size_t j) const
	Calculates the spatial derivative of velocity V with respect to z at point j using upwind differencing.

double	dYdz (const double *x, size_t k, size_t j) const
	Calculates the spatial derivative of the species mass fraction $Y_k$ with respect to z for species k at point j using upwind differencing.

double	dTdz (const double *x, size_t j) const
	Calculates the spatial derivative of temperature T with respect to z at point j using upwind differencing.

virtual AnyMap	getMeta () const
	Retrieve meta data.

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

Protected Attributes
double	m_press = -1.0
	pressure [Pa]

vector< double >	m_dz
	Grid spacing. Element `j` holds the value of `z(j+1) - z(j)`.

vector< double >	m_rho
	Density at each grid point.

vector< double >	m_wtm
	Mean molecular weight at each grid point.

vector< double >	m_wt
	Molecular weight of each species.

vector< double >	m_cp
	Specific heat capacity at each grid point.

vector< double >	m_visc
	Dynamic viscosity at each grid point [Pa∙s].

vector< double >	m_tcon
	Thermal conductivity at each grid point [W/m/K].

vector< double >	m_diff
	Coefficient used in diffusion calculations for each species at each grid point.

vector< double >	m_multidiff
	Vector of size m_nsp × m_nsp × m_points for saving multicomponent diffusion coefficients.

Array2D	m_dthermal
	Array of size m_nsp by m_points for saving thermal diffusion coefficients.

Array2D	m_flux
	Array of size m_nsp by m_points for saving diffusive mass fluxes.

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
	Array of size m_nsp by m_points for saving species production rates.

size_t	m_nsp
	Number of species in the mechanism.

ThermoPhase *	m_thermo = nullptr
	Phase object used for calculating thermodynamic properties.

Kinetics *	m_kin = nullptr
	Kinetics object used for calculating species production rates.

Transport *	m_trans = nullptr
	Transport object used for calculating transport properties.

double	m_epsilon_left = 0.0
	Emissivity of the surface to the left of the domain.

double	m_epsilon_right = 0.0
	Emissivity of the surface to the right of the domain.

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

vector< double >	m_qdotRadiation
	radiative heat loss vector

vector< double >	m_fixedtemp
	Fixed values of the temperature at each grid point that are used when solving with the energy equation disabled.

vector< double >	m_zfix
	Relative coordinates used to specify a fixed temperature profile.

vector< double >	m_tfix
	Fixed temperature values at the relative coordinates specified in m_zfix.

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

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

double	m_zLeft = Undef
	Location of the left control point when two-point control is enabled.

double	m_tLeft = Undef
	Temperature of the left control point when two-point control is enabled.

double	m_zRight = Undef
	Location of the right control point when two-point control is enabled.

double	m_tRight = Undef
	Temperature of the right control point when two-point control is enabled.

flags
vector< bool >	m_do_energy
	For each point in the domain, `true` if energy equation is solved or `false` if temperature is held constant.

bool	m_do_soret = false
	`true` if the Soret diffusion term should be calculated.

ThermoBasis	m_fluxGradientBasis = ThermoBasis::molar
	Determines whether diffusive fluxes are computed using gradients of mass fraction or mole fraction.

bool	m_do_multicomponent = false
	`true` if transport fluxes are computed using the multicomponent diffusion coefficients, or `false` if mixture-averaged diffusion coefficients are used.

bool	m_do_radiation = false
	Determines whether radiative heat loss is calculated.

bool	m_dovisc
	Determines whether the viscosity term in the momentum equation is calculated.

bool	m_isFree
	Flag that is `true` for freely propagating flames anchored by a temperature fixed point.

bool	m_usesLambda
	Flag that is `true` for counterflow configurations that use the pressure eigenvalue $\Lambda$ in the radial momentum equation.

bool	m_twoPointControl = false
	Flag for activating two-point flame control.

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

double	m_rdt = 0.0
	Reciprocal of the time step.

size_t	m_nv = 0
	Number of solution components.

size_t	m_points
	Number of grid points.

vector< double >	m_slast
	Solution vector at the last time step.

vector< double >	m_max
	Upper bounds on solution components.

vector< double >	m_min
	Lower bounds on solution components.

vector< double >	m_rtol_ss
	Relative tolerances for steady mode.

vector< double >	m_rtol_ts
	Relative tolerances for transient mode.

vector< double >	m_atol_ss
	Absolute tolerances for steady mode.

vector< double >	m_atol_ts
	Absolute tolerances for transient mode.

vector< double >	m_z
	1D spatial grid coordinates

OneDim *	m_container = nullptr
	Parent OneDim simulation containing this and adjacent domains.

size_t	m_index
	Left-to-right location of this domain.

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

size_t	m_jstart = 0
	Index of the first point in this domain in the global point list.

Domain1D *	m_left = nullptr
	Pointer to the domain to the left.

Domain1D *	m_right = nullptr
	Pointer to the domain to the right.

string	m_id
	Identity tag for the domain.

unique_ptr< Refiner >	m_refiner
	Refiner object used for placing grid points.

vector< string >	m_name
	Names of solution components.

int	m_bw = -1
	See bandwidth()

bool	m_force_full_update = false
	see forceFullUpdate()

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

Private Attributes
vector< double >	m_ybar
	Holds the average of the species mass fractions between grid points j and j+1.

Constructor & Destructor Documentation

◆ Flow1D() [1/3]

Flow1D	(	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 Flow1D.cpp.

◆ Flow1D() [2/3]

Flow1D	(	shared_ptr< ThermoPhase >	th,
		size_t	nsp = `1`,
		size_t	points = `1`
	)

Delegating constructor.

Definition at line 90 of file Flow1D.cpp.

◆ Flow1D() [3/3]

Flow1D	(	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 98 of file Flow1D.cpp.

◆ ~Flow1D()

~Flow1D ( )

Definition at line 116 of file Flow1D.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.

Reimplemented in IonFlow.

Definition at line 123 of file Flow1D.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 185 of file Flow1D.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 200 of file Flow1D.cpp.

◆ phase()

ThermoPhase & phase ( )

inline

Access the phase object used to compute thermodynamic properties for points in this domain.

Definition at line 82 of file Flow1D.h.

◆ kinetics()

Kinetics & kinetics ( )

inline

Access the Kinetics object used to compute reaction rates for points in this domain.

Definition at line 88 of file Flow1D.h.

◆ setKinetics()

void setKinetics ( shared_ptr< Kinetics > kin )

overridevirtual

Set the Kinetics object used for reaction rate calculations.

Reimplemented from Domain1D.

Definition at line 133 of file Flow1D.cpp.

◆ setTransport()

void setTransport ( shared_ptr< Transport > trans )

overridevirtual

Set the transport manager used for transport property calculations.

Reimplemented from Domain1D.

Definition at line 139 of file Flow1D.cpp.

◆ setTransportModel()

void setTransportModel ( const string & trans )

Set the transport model.

Since: New in Cantera 3.0.

Definition at line 210 of file Flow1D.cpp.

◆ transportModel()

string transportModel ( ) const

Retrieve transport model.

Since: New in Cantera 3.0.

Definition at line 215 of file Flow1D.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 109 of file Flow1D.h.

◆ withSoret()

bool withSoret ( ) const

inline

Indicates if thermal diffusion (Soret effect) term is being calculated.

Definition at line 114 of file Flow1D.h.

◆ setFluxGradientBasis()

void setFluxGradientBasis ( ThermoBasis fluxGradientBasis )

Compute species diffusive fluxes with respect to their mass fraction gradients (fluxGradientBasis = ThermoBasis::mass) or mole fraction gradients (fluxGradientBasis = ThermoBasis::molar, default) when using the mixture-averaged transport model.

Parameters

fluxGradientBasis set flux computation to mass or mole basis

Since: New in Cantera 3.1.

Definition at line 219 of file Flow1D.cpp.

◆ fluxGradientBasis()

ThermoBasis fluxGradientBasis ( ) const

inline

Compute species diffusive fluxes with respect to their mass fraction gradients (fluxGradientBasis = ThermoBasis::mass) or mole fraction gradients (fluxGradientBasis = ThermoBasis::molar, default) when using the mixture-averaged transport model.

Returns: the basis used for flux computation (mass or mole fraction gradients)

Since: New in Cantera 3.1.

Definition at line 132 of file Flow1D.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 138 of file Flow1D.h.

◆ pressure()

double pressure ( ) const

inline

The current pressure [Pa].

Definition at line 143 of file Flow1D.h.

◆ _getInitialSoln()

void _getInitialSoln ( double * x )

overridevirtual

Write the initial solution estimate into array x.

Reimplemented from Domain1D.

Definition at line 229 of file Flow1D.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.

Reimplemented in IonFlow.

Definition at line 258 of file Flow1D.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 155 of file Flow1D.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 164 of file Flow1D.h.

◆ T_fixed()

double T_fixed ( size_t j ) const

inline

The fixed temperature value at point j.

Definition at line 170 of file Flow1D.h.

◆ componentName()

string componentName ( size_t n ) const

overridevirtual

Name of component n. May be overloaded.

Reimplemented from Domain1D.

Definition at line 799 of file Flow1D.cpp.

◆ componentIndex()

size_t componentIndex ( const string & name ) const

overridevirtual

index of component with name name.

Reimplemented from Domain1D.

Definition at line 823 of file Flow1D.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 848 of file Flow1D.cpp.

◆ show()

void show ( const double * x )

overridevirtual

Print the solution.

Parameters

x	Pointer to the local portion of the system state vector

Reimplemented from Domain1D.

Definition at line 782 of file Flow1D.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 915 of file Flow1D.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 949 of file Flow1D.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 190 of file Flow1D.h.

◆ setAxisymmetricFlow()

void setAxisymmetricFlow ( )

inline

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

Definition at line 198 of file Flow1D.h.

◆ setUnstrainedFlow()

void setUnstrainedFlow ( )

inline

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

Definition at line 206 of file Flow1D.h.

◆ solveEnergyEqn()

void solveEnergyEqn ( size_t j = npos )

Specify that the energy equation should be solved at point j.

The converse of this method is fixTemperature().

Parameters

j	Point at which to enable the energy equation. `npos` means all points.

Definition at line 1046 of file Flow1D.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 1070 of file Flow1D.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 1076 of file Flow1D.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 1082 of file Flow1D.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 1088 of file Flow1D.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 1094 of file Flow1D.cpp.

◆ enableRadiation()

void enableRadiation ( bool doRadiation )

inline

Turn radiation on / off.

Definition at line 238 of file Flow1D.h.

◆ radiationEnabled()

bool radiationEnabled ( ) const

inline

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

Definition at line 243 of file Flow1D.h.

◆ radiativeHeatLoss()

double radiativeHeatLoss ( size_t j ) const

inline

Return radiative heat loss at grid point j.

Definition at line 248 of file Flow1D.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 1100 of file Flow1D.cpp.

◆ leftEmissivity()

double leftEmissivity ( ) const

inline

Return emissivity at left boundary.

Definition at line 261 of file Flow1D.h.

◆ rightEmissivity()

double rightEmissivity ( ) const

inline

Return emissivity at right boundary.

Definition at line 266 of file Flow1D.h.

◆ fixTemperature()

void fixTemperature ( size_t j = npos )

Specify that the the temperature should be held fixed at point j.

The converse of this method is enableEnergyEqn().

Parameters

j	Point at which to specify a fixed temperature. `npos` means all points.

Definition at line 1114 of file Flow1D.cpp.

◆ leftControlPointTemperature()

double leftControlPointTemperature ( ) const

Returns the temperature at the left control point.

Definition at line 1147 of file Flow1D.cpp.

◆ leftControlPointCoordinate()

double leftControlPointCoordinate ( ) const

Returns the z-coordinate of the left control point.

Definition at line 1162 of file Flow1D.cpp.

◆ setLeftControlPointTemperature()

void setLeftControlPointTemperature ( double temperature )

Sets the temperature of the left control point.

Definition at line 1177 of file Flow1D.cpp.

◆ setLeftControlPointCoordinate()

void setLeftControlPointCoordinate ( double z_left )

Sets the coordinate of the left control point.

Definition at line 1192 of file Flow1D.cpp.

◆ rightControlPointTemperature()

double rightControlPointTemperature ( ) const

Returns the temperature at the right control point.

Definition at line 1202 of file Flow1D.cpp.

◆ rightControlPointCoordinate()

double rightControlPointCoordinate ( ) const

Returns the z-coordinate of the right control point.

Definition at line 1217 of file Flow1D.cpp.

◆ setRightControlPointTemperature()

void setRightControlPointTemperature ( double temperature )

Sets the temperature of the right control point.

Definition at line 1232 of file Flow1D.cpp.

◆ setRightControlPointCoordinate()

void setRightControlPointCoordinate ( double z_right )

Sets the coordinate of the right control point.

Definition at line 1247 of file Flow1D.cpp.

◆ enableTwoPointControl()

void enableTwoPointControl ( bool twoPointControl )

Sets the status of the two-point control.

Definition at line 1257 of file Flow1D.cpp.

◆ twoPointControlEnabled()

bool twoPointControlEnabled ( ) const

inline

Returns the status of the two-point control.

Definition at line 328 of file Flow1D.h.

◆ doEnergy()

bool doEnergy ( size_t j )

inline

true if the energy equation is solved at point j or false if a fixed temperature condition is imposed.

Definition at line 335 of file Flow1D.h.

◆ resize()

void resize	(	size_t	components,
		size_t	points
	)

overridevirtual

Change the grid size. Called after grid refinement.

Reimplemented from Domain1D.

Reimplemented in IonFlow.

Definition at line 159 of file Flow1D.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 238 of file Flow1D.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 246 of file Flow1D.cpp.

◆ density()

double density ( size_t j ) const

inline

Get the density [kg/m³] at point j

Definition at line 350 of file Flow1D.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 360 of file Flow1D.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 371 of file Flow1D.h.

◆ setViscosityFlag()

void setViscosityFlag ( bool dovisc )

inline

Specify if the viscosity term should be included in the momentum equation.

Definition at line 376 of file Flow1D.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.

Reimplemented in StFlow.

Definition at line 305 of file Flow1D.cpp.

◆ leftExcessSpecies()

size_t leftExcessSpecies ( ) const

inline

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

Definition at line 404 of file Flow1D.h.

◆ rightExcessSpecies()

size_t rightExcessSpecies ( ) const

inline

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

Definition at line 409 of file Flow1D.h.

◆ getMeta()

AnyMap getMeta ( ) const

overrideprotectedvirtual

Retrieve meta data.

Reimplemented from Domain1D.

Definition at line 864 of file Flow1D.cpp.

◆ setMeta()

void setMeta ( const AnyMap & meta )

overrideprotectedvirtual

Retrieve meta data.

Reimplemented from Domain1D.

Definition at line 979 of file Flow1D.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 436 of file Flow1D.h.

◆ 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.

Evaluates the solution at the midpoint between j and j + 1 to compute the transport properties. For example, the viscosity at element j is the viscosity evaluated at the midpoint between j and j + 1.

Reimplemented in IonFlow.

Definition at line 368 of file Flow1D.cpp.

◆ updateDiffFluxes()

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

protectedvirtual

Update the diffusive mass fluxes.

Reimplemented in IonFlow.

Definition at line 416 of file Flow1D.cpp.

◆ 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 344 of file Flow1D.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 [23]. 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 [9]. The coefficients for the polynomials are taken from TNF Workshop material.

Definition at line 462 of file Flow1D.cpp.

◆ evalContinuity() [1/2]

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

protectedvirtual

Evaluate the continuity equation residual.

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

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 right boundary. Because the equation is a first order equation, only one boundary condition is needed.

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 509 of file Flow1D.cpp.

◆ evalMomentum()

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

protectedvirtual

Evaluate the momentum equation residual.

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

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 566 of file Flow1D.cpp.

◆ evalLambda()

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

protectedvirtual

Evaluate the lambda equation residual.

$\frac{d\Lambda}{dz} = 0$

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 boundary. The equation is first order and so only one boundary condition is needed.

For argument explanation, see evalContinuity().

Definition at line 602 of file Flow1D.cpp.

◆ evalEnergy()

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

protectedvirtual

Evaluate the energy equation residual.

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

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 645 of file Flow1D.cpp.

◆ evalSpecies()

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

protectedvirtual

Evaluate the species equations' residuals.

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

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 727 of file Flow1D.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 767 of file Flow1D.cpp.

◆ evalContinuity() [2/2]

void evalContinuity	(	size_t	j,
		double *	x,
		double *	r,
		int *	diag,
		double	rdt
	)

protectedvirtual

Alternate version of evalContinuity with legacy signature.

Implemented by StFlow; included here to prevent compiler warnings about shadowed virtual functions.

Deprecated:: To be removed after Cantera 3.1.

Reimplemented in StFlow.

Definition at line 776 of file Flow1D.cpp.

◆ evalUo()

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

protectedvirtual

Evaluate the oxidizer axial velocity equation residual.

The function calculates the oxidizer axial velocity equation as

$\frac{dU_{o}}{dz} = 0$

This equation serves as a dummy equation that is used only in the context of two-point flame control, and serves as the way for two interior control points to be specified while maintaining block tridiagonal structure. The default boundary condition is $U_o = 0$ at the right and zero flux at the left boundary.

For argument explanation, see evalContinuity().

Definition at line 687 of file Flow1D.cpp.

◆ T() [1/2]

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

inlineprotected

Get the temperature at point j from the local state vector x.

Definition at line 639 of file Flow1D.h.

◆ T() [2/2]

double & T	(	double *	x,
		size_t	j
	)

inlineprotected

Get the temperature at point j from the local state vector x.

Definition at line 643 of file Flow1D.h.

◆ T_prev()

double T_prev ( size_t j ) const

inlineprotected

Get the temperature at point j from the previous time step.

Definition at line 648 of file Flow1D.h.

◆ rho_u()

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

inlineprotected

Get the axial mass flux [kg/m²/s] at point j from the local state vector x.

Definition at line 653 of file Flow1D.h.

◆ u()

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

inlineprotected

Get the axial velocity [m/s] at point j from the local state vector x.

Definition at line 658 of file Flow1D.h.

◆ V()

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

inlineprotected

Get the spread rate (tangential velocity gradient) [1/s] at point j from the local state vector x.

Definition at line 664 of file Flow1D.h.

◆ V_prev()

double V_prev ( size_t j ) const

inlineprotected

Get the spread rate [1/s] at point j from the previous time step.

Definition at line 669 of file Flow1D.h.

◆ lambda()

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

inlineprotected

Get the radial pressure gradient [N/m⁴] at point j from the local state vector x

Definition at line 675 of file Flow1D.h.

◆ Uo()

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

inlineprotected

Get the oxidizer inlet velocity [m/s] linked to point j from the local state vector x.

See also: evalUo()

Definition at line 683 of file Flow1D.h.

◆ Y() [1/2]

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

inlineprotected

Get the mass fraction of species k at point j from the local state vector x.

Definition at line 689 of file Flow1D.h.

◆ Y() [2/2]

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

inlineprotected

Get the mass fraction of species k at point j from the local state vector x.

Definition at line 695 of file Flow1D.h.

◆ Y_prev()

double Y_prev	(	size_t	k,
		size_t	j
	)		const

inlineprotected

Get the mass fraction of species k at point j from the previous time step.

Definition at line 700 of file Flow1D.h.

◆ X()

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

inlineprotected

Get the mole fraction of species k at point j from the local state vector x.

Definition at line 706 of file Flow1D.h.

◆ flux()

double flux	(	size_t	k,
		size_t	j
	)		const

inlineprotected

Get the diffusive mass flux [kg/m²/s] of species k at point j

Definition at line 711 of file Flow1D.h.

◆ dVdz()

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

inlineprotected

Calculates the spatial derivative of velocity V with respect to z at point j using upwind differencing.

For more details on the upwinding scheme, see the science reference documentation.

$\frac{\partial V}{\partial z} \bigg|_{j} \approx \frac{V_{\ell} - V_{\ell-1}}{z_{\ell} - z_{\ell-1}}$

Where the value of $\ell$ is determined by the sign of the axial velocity. If the axial velocity is positive, the value of $\ell$ is j. If the axial velocity is negative, the value of $\ell$ is j + 1. A positive velocity means that the flow is moving left-to-right.

Parameters

[in]	x	The local domain state vector.
[in]	j	The grid point index at which the derivative is computed.

Definition at line 744 of file Flow1D.h.

◆ dYdz()

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

inlineprotected

Calculates the spatial derivative of the species mass fraction $Y_k$ with respect to z for species k at point j using upwind differencing.

For details on the upwinding scheme, see dVdz().

Parameters

[in]	x	The local domain state vector.
[in]	k	The species index.
[in]	j	The grid point index at which the derivative is computed.

Definition at line 759 of file Flow1D.h.

◆ dTdz()

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

inlineprotected

Calculates the spatial derivative of temperature T with respect to z at point j using upwind differencing.

For details on the upwinding scheme, see dVdz().

Parameters

[in]	x	The local domain state vector.
[in]	j	The grid point index at which the derivative is computed.

Definition at line 773 of file Flow1D.h.

◆ shear()

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

inlineprotected

Compute the shear term from the momentum equation using a central three-point differencing scheme.

The term to be discretized is:

$\frac{d}{dz}\left(\mu \frac{dV}{dz}\right)$

For more details on the discretization scheme used for the second derivative, see the documentation.

$\frac{d}{dz}\left(\mu \frac{dV}{dz}\right) \approx \frac{\mu_{j+1/2} \frac{V_{j+1} - V_j}{z_{j+1} - z_j} - \mu_{j-1/2} \frac{V_j - V_{j-1}}{z_j - z_{j-1}}}{\frac{z_{j+1} - z_{j-1}}{2}}$

Parameters

[in]	x	The local domain state vector.
[in]	j	The grid point index at which the derivative is computed.

Definition at line 801 of file Flow1D.h.

◆ conduction()

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

inlineprotected

Compute the conduction term from the energy equation using a central three-point differencing scheme.

For the details about the discretization, see shear().

Parameters

[in]	x	The local domain state vector.
[in]	j	The grid point index at which the derivative is computed.

Definition at line 816 of file Flow1D.h.

◆ mindex()

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

inlineprotected

Array access mapping for a 3D array stored in a 1D vector.

Used for accessing data in the m_multidiff member variable.

Parameters

[in]	k	First species index.
[in]	j	The grid point index.
[in]	m	The second species index.

Definition at line 830 of file Flow1D.h.

◆ grad_hk()

void grad_hk	(	const double *	x,
		size_t	j
	)

protectedvirtual

Compute the spatial derivative of species specific molar enthalpies using upwind differencing.

Updates all species molar enthalpies for all species at point j. Updates the m_dhk_dz 2D array.

For details on the upwinding scheme, see dVdz().

Parameters

[in]	x	The local domain state vector.
[in]	j	The index at which the derivative is computed.

Definition at line 1138 of file Flow1D.cpp.

Member Data Documentation

◆ m_press

double m_press = -1.0

protected

pressure [Pa]

Definition at line 850 of file Flow1D.h.

◆ m_dz

vector<double> m_dz

protected

Grid spacing. Element j holds the value of z(j+1) - z(j).

Definition at line 853 of file Flow1D.h.

◆ m_rho

vector<double> m_rho

protected

Density at each grid point.

Definition at line 856 of file Flow1D.h.

◆ m_wtm

vector<double> m_wtm

protected

Mean molecular weight at each grid point.

Definition at line 857 of file Flow1D.h.

◆ m_wt

vector<double> m_wt

protected

Molecular weight of each species.

Definition at line 858 of file Flow1D.h.

◆ m_cp

vector<double> m_cp

protected

Specific heat capacity at each grid point.

Definition at line 859 of file Flow1D.h.

◆ m_visc

vector<double> m_visc

protected

Dynamic viscosity at each grid point [Pa∙s].

Definition at line 862 of file Flow1D.h.

◆ m_tcon

vector<double> m_tcon

protected

Thermal conductivity at each grid point [W/m/K].

Definition at line 863 of file Flow1D.h.

◆ m_diff

vector<double> m_diff

protected

Coefficient used in diffusion calculations for each species at each grid point.

The value stored is different depending on the transport model (multicomponent versus mixture averaged) and flux gradient basis (mass or molar). Vector size is m_nsp × m_points, where m_diff[k + j*m_nsp] contains the value for species k at point j.

Definition at line 871 of file Flow1D.h.

◆ m_multidiff

vector<double> m_multidiff

protected

Vector of size m_nsp × m_nsp × m_points for saving multicomponent diffusion coefficients.

Order of elements is defined by mindex().

Definition at line 875 of file Flow1D.h.

◆ m_dthermal

Array2D m_dthermal

protected

Array of size m_nsp by m_points for saving thermal diffusion coefficients.

Definition at line 878 of file Flow1D.h.

◆ m_flux

Array2D m_flux

protected

Array of size m_nsp by m_points for saving diffusive mass fluxes.

Definition at line 881 of file Flow1D.h.

◆ m_hk

Array2D m_hk

protected

Array of size m_nsp by m_points for saving molar enthalpies.

Definition at line 884 of file Flow1D.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 887 of file Flow1D.h.

◆ m_wdot

Array2D m_wdot

protected

Array of size m_nsp by m_points for saving species production rates.

Definition at line 890 of file Flow1D.h.

◆ m_nsp

size_t m_nsp

protected

Number of species in the mechanism.

Definition at line 892 of file Flow1D.h.

◆ m_thermo

ThermoPhase* m_thermo = nullptr

protected

Phase object used for calculating thermodynamic properties.

Definition at line 895 of file Flow1D.h.

◆ m_kin

Kinetics* m_kin = nullptr

protected

Kinetics object used for calculating species production rates.

Definition at line 898 of file Flow1D.h.

◆ m_trans

Transport* m_trans = nullptr

protected

Transport object used for calculating transport properties.

Definition at line 901 of file Flow1D.h.

◆ m_epsilon_left

double m_epsilon_left = 0.0

protected

Emissivity of the surface to the left of the domain.

Used for calculating radiative heat loss.

Definition at line 905 of file Flow1D.h.

◆ m_epsilon_right

double m_epsilon_right = 0.0

protected

Emissivity of the surface to the right of the domain.

Used for calculating radiative heat loss.

Definition at line 909 of file Flow1D.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 913 of file Flow1D.h.

◆ m_do_energy

vector<bool> m_do_energy

protected

For each point in the domain, true if energy equation is solved or false if temperature is held constant.

See also: doEnergy, fixTemperature

Definition at line 921 of file Flow1D.h.

◆ m_do_soret

bool m_do_soret = false

protected

true if the Soret diffusion term should be calculated.

Definition at line 924 of file Flow1D.h.

◆ m_fluxGradientBasis

ThermoBasis m_fluxGradientBasis = ThermoBasis::molar

protected

Determines whether diffusive fluxes are computed using gradients of mass fraction or mole fraction.

See also: setFluxGradientBasis, fluxGradientBasis

Definition at line 929 of file Flow1D.h.

◆ m_do_multicomponent

bool m_do_multicomponent = false

protected

true if transport fluxes are computed using the multicomponent diffusion coefficients, or false if mixture-averaged diffusion coefficients are used.

Definition at line 933 of file Flow1D.h.

◆ m_do_radiation

bool m_do_radiation = false

protected

Determines whether radiative heat loss is calculated.

See also: enableRadiation, radiationEnabled, computeRadiation

Definition at line 937 of file Flow1D.h.

◆ m_dovisc

bool m_dovisc

protected

Determines whether the viscosity term in the momentum equation is calculated.

See also: setViscosityFlag, setFreeFlow, setAxisymmetricFlow, setUnstrainedFlow, updateTransport, shear

Definition at line 942 of file Flow1D.h.

◆ m_isFree

bool m_isFree

protected

Flag that is true for freely propagating flames anchored by a temperature fixed point.

See also: setFreeFlow, setAxisymmetricFlow, setUnstrainedFlow

Definition at line 947 of file Flow1D.h.

◆ m_usesLambda

bool m_usesLambda

protected

Flag that is true for counterflow configurations that use the pressure eigenvalue $\Lambda$ in the radial momentum equation.

See also: setFreeFlow, setAxisymmetricFlow, setUnstrainedFlow

Definition at line 952 of file Flow1D.h.

◆ m_twoPointControl

bool m_twoPointControl = false

protected

Flag for activating two-point flame control.

Definition at line 955 of file Flow1D.h.

◆ m_qdotRadiation

vector<double> m_qdotRadiation

protected

radiative heat loss vector

Definition at line 959 of file Flow1D.h.

◆ m_fixedtemp

vector<double> m_fixedtemp

protected

Fixed values of the temperature at each grid point that are used when solving with the energy equation disabled.

Values are interpolated from profiles specified with the setFixedTempProfile method as part of _finalize().

Definition at line 967 of file Flow1D.h.

◆ m_zfix

vector<double> m_zfix

protected

Relative coordinates used to specify a fixed temperature profile.

0 corresponds to the left edge of the domain and 1 corresponds to the right edge of the domain. Length is the same as the m_tfix array.

See also: setFixedTempProfile, _finalize

Definition at line 974 of file Flow1D.h.

◆ m_tfix

vector<double> m_tfix

protected

Fixed temperature values at the relative coordinates specified in m_zfix.

See also: setFixedTempProfile, _finalize

Definition at line 978 of file Flow1D.h.

◆ m_kExcessLeft

size_t m_kExcessLeft = 0

protected

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

Definition at line 982 of file Flow1D.h.

◆ m_kExcessRight

size_t m_kExcessRight = 0

protected

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

Definition at line 986 of file Flow1D.h.

◆ m_zLeft

double m_zLeft = Undef

protected

Location of the left control point when two-point control is enabled.

Definition at line 989 of file Flow1D.h.

◆ m_tLeft

double m_tLeft = Undef

protected

Temperature of the left control point when two-point control is enabled.

Definition at line 992 of file Flow1D.h.

◆ m_zRight

double m_zRight = Undef

protected

Location of the right control point when two-point control is enabled.

Definition at line 995 of file Flow1D.h.

◆ m_tRight

double m_tRight = Undef

protected

Temperature of the right control point when two-point control is enabled.

Definition at line 998 of file Flow1D.h.

◆ m_zfixed

double m_zfixed = Undef

Location of the point where temperature is fixed.

Definition at line 1002 of file Flow1D.h.

◆ m_tfixed

double m_tfixed = -1.0

Temperature at the point used to fix the flame location.

Definition at line 1005 of file Flow1D.h.

◆ m_ybar

vector<double> m_ybar

private

Holds the average of the species mass fractions between grid points j and j+1.

Used when building a gas state at the grid midpoints for evaluating transport properties at the midpoints.

Definition at line 1011 of file Flow1D.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

◆ Flow1D() [1/3]

◆ Flow1D() [2/3]

◆ Flow1D() [3/3]

◆ ~Flow1D()

Member Function Documentation

◆ domainType()

◆ setupGrid()

◆ resetBadValues()

◆ phase()

◆ kinetics()

◆ setKinetics()

◆ setTransport()

◆ setTransportModel()

◆ transportModel()

◆ enableSoret()

◆ withSoret()

◆ setFluxGradientBasis()

◆ fluxGradientBasis()

◆ 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()

◆ leftControlPointTemperature()

◆ leftControlPointCoordinate()

◆ setLeftControlPointTemperature()

◆ setLeftControlPointCoordinate()

◆ rightControlPointTemperature()

◆ rightControlPointCoordinate()

◆ setRightControlPointTemperature()

◆ setRightControlPointCoordinate()

◆ enableTwoPointControl()

◆ twoPointControlEnabled()

◆ doEnergy()

◆ resize()

◆ setGas()

◆ setGasAtMidpoint()

◆ density()

◆ isFree()

◆ isStrained()

◆ setViscosityFlag()

◆ eval()

◆ leftExcessSpecies()

◆ rightExcessSpecies()

◆ getMeta()

◆ setMeta()

◆ updateThermo()

◆ updateTransport()

◆ updateDiffFluxes()