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

#include <StFlow.h>

Inheritance diagram for StFlow:

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Collaboration diagram for StFlow:

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

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 std::string	flowType ()

void	solveEnergyEqn (size_t j=npos)

void	fixTemperature (size_t j=npos)

bool	doSpecies (size_t k)

bool	doEnergy (size_t j)

void	solveSpecies (size_t k=npos)

void	fixSpecies (size_t k=npos)

void	integrateChem (doublereal *x, doublereal dt)

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

virtual void	setFixedPoint (int j0, doublereal t0)

void	setJac (MultiJac *jac)

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 (doublereal x, doublereal res, integer *diag, doublereal rdt)=0
	Evaluate all residual components at the right boundary. More...

virtual void	evalContinuity (size_t j, doublereal x, doublereal r, integer *diag, doublereal rdt)=0
	Evaluate the residual corresponding to the continuity equation at all interior grid points. More...

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

thermo_t &	phase ()

Kinetics &	kinetics ()

virtual void	init ()

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, bool withSoret=false)
	set the transport manager More...

void	enableSoret (bool withSoret)

bool	withSoret () const

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

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

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

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

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

void	setMassFraction (size_t j, size_t k, doublereal y)

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

doublereal	Y_fixed (size_t k, size_t j) const
	The fixed mass fraction value of species k at point j. More...

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

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)

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	setInitialState (doublereal *xlocal=0)

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 Throws an exception if n is greater than nComponents()-1. More...

void	checkComponentArraySize (size_t nn) const
	Check that an array size is at least nComponents() Throws an exception if nn is less than 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 Throws an exception if n is greater than nPoints()-1. More...

void	checkPointArraySize (size_t nn) const
	Check that an array size is at least nPoints() Throws an exception if nn is less than nPoints(). More...

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

void	setComponentType (size_t n, int ctype)

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

void	setBounds (size_t nl, const doublereal lower, size_t nu, const doublereal upper)
	Set the lower and upper bounds for each solution component. More...

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

void	setTolerances (size_t nr, const doublereal rtol, size_t na, const doublereal atol, int ts=0)
	set the error tolerances for all solution components. More...

void	setTolerances (size_t n, doublereal rtol, doublereal atol, int ts=0)
	set the error tolerances for solution component n. More...

void	setTolerances (doublereal rtol, doublereal atol, int ts=0)
	set scalar error tolerances. More...

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

void	setTolerancesTS (doublereal rtol, doublereal atol, size_t n=npos)

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

void	setTolerancesSS (doublereal rtol, doublereal atol, size_t n=npos)

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

doublereal	atol (size_t n)
	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)

void	setSteadyMode ()

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

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

void	needJacUpdate ()

void	evalss (doublereal x, doublereal r, integer *mask)

virtual doublereal	residual (doublereal *x, size_t n, size_t j)

int	timeDerivativeFlag (size_t n)

void	setAlgebraic (size_t n)

virtual void	update (doublereal *x)

doublereal	time () const

void	incrementTime (doublereal dt)

size_t	index (size_t n, size_t j) const

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

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 (i.e., left-most) grid point belonging to this domain. More...

size_t	lastPoint () const
	The index of the last (i.e., 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

void	setDesc (const std::string &s)
	Specify descriptive text for this domain. More...

const std::string &	desc ()

virtual void	getTransientMask (integer *mask)

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, doublereal values, doublereal soln)

vector_fp &	grid ()

const vector_fp &	grid () const

doublereal	grid (size_t point)

void	setGrid (size_t n, const doublereal *z)

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

Protected Member Functions
doublereal	component (const doublereal *x, size_t i, size_t j) const

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

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

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...

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	cdif2 (const doublereal x, size_t n, size_t j, const doublereal f) const

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)

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

void	updateTransport (doublereal *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...

Solution components
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

convective spatial derivatives.
These use upwind differencing, assuming u(z) is negative
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
doublereal	m_inlet_u

doublereal	m_inlet_V

doublereal	m_inlet_T

doublereal	m_rho_inlet

vector_fp	m_yin

doublereal	m_surface_T

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_enth

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

vector_fp	m_surfdot

size_t	m_nsp

IdealGasPhase *	m_thermo

Kinetics *	m_kin

Transport *	m_trans

MultiJac *	m_jac

bool	m_ok

std::vector< bool >	m_do_energy

bool	m_do_soret

std::vector< bool >	m_do_species

int	m_transport_option

Array2D	m_fixedy

vector_fp	m_fixedtemp

vector_fp	m_zfix

vector_fp	m_tfix

bool	m_dovisc

Protected Attributes inherited from Domain1D
doublereal	m_rdt

size_t	m_nv

size_t	m_points

vector_fp	m_slast

doublereal	m_time

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::string	m_desc

Refiner *	m_refiner

vector_int	m_td

std::vector< std::string >	m_name

int	m_bw

Private Attributes
vector_fp	m_ybar

Additional Inherited Members
Public Attributes inherited from Domain1D
doublereal	m_zfixed

doublereal	m_tfixed

bool	m_adiabatic

Detailed Description

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

Definition at line 41 of file StFlow.h.

Constructor & Destructor Documentation

StFlow	(	IdealGasPhase *	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 78 of file StFlow.cpp.

References DATA_PTR, Phase::molecularWeights(), Phase::nSpecies(), Array2D::resize(), Domain1D::resize(), Domain1D::setBounds(), Domain1D::setID(), Domain1D::setSteadyTolerances(), Domain1D::setTransientTolerances(), StFlow::setupGrid(), and Cantera::Undef.

Member Function Documentation

void setupGrid	(	size_t	n,
		const doublereal *	z
	)

virtual

called to set up initial grid, and after grid refinement

Reimplemented from Domain1D.

Definition at line 193 of file StFlow.cpp.

References StFlow::resize().

Referenced by StFlow::restore(), and StFlow::StFlow().

virtual void init ( )

inlinevirtual

Initialize. This method is called by OneDim::init() for each domain once at the beginning of a simulation. Base class method does nothing, but may be overloaded.

Reimplemented from Domain1D.

Definition at line 67 of file StFlow.h.

void setThermo ( IdealGasPhase & th )

inline

Set the thermo manager.

Note that the flow equations assume the ideal gas equation.

Definition at line 74 of file StFlow.h.

void setKinetics ( Kinetics & kin )

inline

Set the kinetics manager. The kinetics manager must.

Definition at line 79 of file StFlow.h.

void setTransport	(	Transport &	trans,
		bool	withSoret = `false`
	)

set the transport manager

Definition at line 205 of file StFlow.cpp.

References Transport::model(), and Array2D::resize().

void setPressure ( doublereal 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 93 of file StFlow.h.

Referenced by StFlow::restore().

doublereal pressure ( ) const

inline

The current pressure [Pa].

Definition at line 98 of file StFlow.h.

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

inlinevirtual

Deprecated:: unused

Reimplemented from Domain1D.

Definition at line 103 of file StFlow.h.

References StFlow::setMassFraction(), StFlow::setTemperature(), and Cantera::warn_deprecated().

virtual void _getInitialSoln ( doublereal * x )

inlinevirtual

Write the initial solution estimate into array x.

Reimplemented from Domain1D.

Definition at line 113 of file StFlow.h.

References Phase::getMassFractions(), and Phase::temperature().

void _finalize ( const doublereal * 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 Domain1D.

Definition at line 258 of file StFlow.cpp.

References Cantera::linearInterp(), StFlow::setMassFraction(), StFlow::setTemperature(), and Cantera::Undef.

void setFixedTempProfile	(	vector_fp &	zfixed,
		vector_fp &	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 125 of file StFlow.h.

Referenced by StFlow::restore().

void setTemperature	(	size_t	j,
		doublereal	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 134 of file StFlow.h.

Referenced by StFlow::_finalize(), and StFlow::setState().

void setMassFraction	(	size_t	j,
		size_t	k,
		doublereal	y
	)

inline

Set the mass fraction fixed point for species k at grid point j, and disable the species equation so that the solution will be held to this value. Note: in practice, the species are hardly ever held fixed.

Definition at line 144 of file StFlow.h.

Referenced by StFlow::_finalize(), and StFlow::setState().

doublereal T_fixed ( size_t j ) const

inline

The fixed temperature value at point j.

Definition at line 150 of file StFlow.h.

Referenced by StFlow::eval().

doublereal Y_fixed	(	size_t	k,
		size_t	j
	)		const

inline

The fixed mass fraction value of species k at point j.

Definition at line 155 of file StFlow.h.

string componentName ( size_t n ) const

virtual

Name of the nth component. May be overloaded.

Reimplemented from Domain1D.

Definition at line 629 of file StFlow.cpp.

References Phase::speciesName().

Referenced by StFlow::showSolution().

void showSolution ( const doublereal * x )

virtual

Print the solution.

Reimplemented from Domain1D.

Definition at line 536 of file StFlow.cpp.

References StFlow::componentName(), StFlow::updateThermo(), and Cantera::writelog().

XML_Node & save	(	XML_Node &	o,
		const doublereal *const	sol
	)

virtual

Save the current solution for this domain into an XML_Node.

Parameters

o	XML_Node to save the solution to.
sol	Current value of the solution vector. The object will pick out which part of the solution vector pertains to this object.

Reimplemented from Domain1D.

Definition at line 845 of file StFlow.cpp.

References XML_Node::addAttribute(), ctml::addFloat(), ctml::addFloatArray(), ctml::addNamedFloatArray(), ctml::addString(), DATA_PTR, Array2D::getRow(), Domain1D::loc(), Array2D::nColumns(), Domain1D::nPoints(), Domain1D::refiner(), Domain1D::save(), Phase::speciesName(), and Cantera::Undef.

void restore	(	const XML_Node &	dom,
		doublereal *	soln,
		int	loglevel
	)

virtual

Restore the solution for this domain from an XML_Node.

Base class version of the general Domain1D restore function. Derived classes should call the base class method in addition to restoring their own data.

Parameters

dom	XML_Node for this domain
soln	Current value of the solution vector, local to this object.
loglevel	0 to suppress all output; 1 to show warnings; 2 for verbose output

Reimplemented from Domain1D.

Definition at line 670 of file StFlow.cpp.

References XML_Node::child(), DATA_PTR, XML_Node::getChildren(), ctml::getFloat(), ctml::getFloatArray(), ctml::getOptionalFloat(), XML_Node::hasChild(), Cantera::int2str(), Domain1D::nPoints(), Cantera::npos, Phase::nSpecies(), Domain1D::refiner(), Domain1D::restore(), Refiner::setCriteria(), StFlow::setFixedTempProfile(), Refiner::setGridMin(), StFlow::setPressure(), StFlow::setupGrid(), Phase::speciesIndex(), Phase::speciesName(), XML_Node::value(), and Cantera::writelog().

void resize	(	size_t	components,
		size_t	points
	)

virtual

Change the grid size. Called after grid refinement.

Reimplemented from Domain1D.

Definition at line 165 of file StFlow.cpp.

References Array2D::resize(), and Domain1D::resize().

Referenced by StFlow::setupGrid().

void setGas	(	const doublereal *	x,
		size_t	j
	)

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

Definition at line 238 of file StFlow.cpp.

References Phase::setMassFractions_NoNorm(), IdealGasPhase::setPressure(), and Phase::setTemperature().

Referenced by StFlow::eval(), ReactingSurf1D::eval(), StFlow::getWdot(), and StFlow::updateThermo().

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.

Definition at line 246 of file StFlow.cpp.

References DATA_PTR, Phase::setMassFractions_NoNorm(), IdealGasPhase::setPressure(), and Phase::setTemperature().

Referenced by StFlow::updateTransport().

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

virtual

Evaluate the residual function for axisymmetric stagnation flow. If jpt is less than zero, the residual function is evaluated at all grid points. If jpt >= 0, then the residual function is only evaluated at grid points jpt-1, jpt, and jpt+1. This option is used to efficiently evaluate the Jacobian numerically.

Reimplemented from Domain1D.

Definition at line 305 of file StFlow.cpp.

References IdealGasPhase::cp_R_ref(), IdealGasPhase::enthalpy_RT_ref(), StFlow::evalContinuity(), StFlow::evalRightBoundary(), Domain1D::firstPoint(), Cantera::GasConstant, StFlow::getWdot(), Domain1D::lastPoint(), Domain1D::loc(), Cantera::npos, StFlow::setGas(), StFlow::T_fixed(), StFlow::updateDiffFluxes(), StFlow::updateThermo(), and StFlow::updateTransport().

virtual void evalRightBoundary	(	doublereal *	x,
		doublereal *	res,
		integer *	diag,
		doublereal	rdt
	)

pure virtual

Evaluate all residual components at the right boundary.

Implemented in FreeFlame, and AxiStagnFlow.

Referenced by StFlow::eval().

virtual void evalContinuity	(	size_t	j,
		doublereal *	x,
		doublereal *	r,
		integer *	diag,
		doublereal	rdt
	)

pure virtual

Evaluate the residual corresponding to the continuity equation at all interior grid points.

Implemented in FreeFlame, and AxiStagnFlow.

Referenced by StFlow::eval().

void getWdot	(	doublereal *	x,
		size_t	j
	)

inlineprotected

Write the net production rates at point j into array m_wdot

Definition at line 306 of file StFlow.h.

References Kinetics::getNetProductionRates(), and StFlow::setGas().

Referenced by StFlow::eval().

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

inlineprotected

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

Definition at line 315 of file StFlow.h.

References ThermoPhase::cp_mass(), Phase::density(), Phase::meanMolecularWeight(), and StFlow::setGas().

Referenced by StFlow::eval(), and StFlow::showSolution().

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

protected

Update the diffusive mass fluxes.

Definition at line 587 of file StFlow.cpp.

Referenced by StFlow::eval().

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

protected

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

Definition at line 493 of file StFlow.cpp.

References DATA_PTR, Transport::getMixDiffCoeffs(), Transport::getMultiDiffCoeffs(), Transport::getThermalDiffCoeffs(), Phase::meanMolecularWeight(), Array2D::ptrColumn(), StFlow::setGasAtMidpoint(), Transport::thermalConductivity(), and Transport::viscosity().

Referenced by StFlow::eval().

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

Public Member Functions

Protected Member Functions

Protected Attributes

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation