FlameSolver Class Reference

Class which manages the main integration loop. More...

#include <flameSolver.h>

Inheritance diagram for FlameSolver:

Public Member Functions
	FlameSolver ()
virtual	~FlameSolver ()
void	setOptions (const ConfigOptions &options)
	Set options read from the configuration file.
void	initialize ()
	call to generate profiles and perform one-time setup
void	finalize ()
virtual void	loadProfile ()
	Load initial temperature, mass fraction and velocity profiles.
bool	checkTerminationCondition (void)
	Determine whether to terminate integration based on reaching steady-state solution.
void	writeStateFile (const std::string &fileName="", bool errorFile=false, bool updateDerivatives=true)
	Create prof.h5 file.
void	saveTimeSeriesData (const std::string &filename, bool write)
	Collect info for out.h5 file.
double	getHeatReleaseRate (void)
	Compute integral heat release rate [W/m^2].
double	getConsumptionSpeed (void)
	Compute flame consumption speed [m/s].
double	getFlamePosition (void)
	Compute position of flame (heat release centroid) [m].
void	setupStep ()
	Take actions at the start of the time step.
void	prepareIntegrators ()
	Prepare split term integrators.
int	finishStep ()
	Take actions at the end of a time step.
void	resizeAuxiliary ()
	Handle resizing of data structures as grid size changes.
void	resizeMappedArrays ()
	update data that shadows SplitSolver arrays
void	updateCrossTerms ()
	calculates values of cross-component terms: jSoret, sumcpj, and jCorr
void	updateChemicalProperties ()
	Update thermodynamic, transport, and kinetic properties.
void	updateChemicalProperties (size_t j1, size_t j2)
	Update thermodynamic, transport, and kinetic properties.
void	updateBC ()
	Set boundary condition for left edge of domain.
void	calculateQdot ()
	Compute heat release rate using the current temperature and mass fractions.
void	correctMassFractions ()
	Correct the drift of the total mass fractions and reset any negative mass fractions.
void	setDiffusionSolverState (double tInitial)
void	setConvectionSolverState (double tInitial)
void	setProductionSolverState (double tInitial)
void	integrateConvectionTerms ()
void	integrateProductionTerms ()
void	integrateDiffusionTerms ()
void	integrateProductionTerms (size_t j1, size_t j2)
void	integrateDiffusionTerms (size_t k1, size_t k2)
void	rollVectorVector (vector< dvector > &vv, const dmatrix &M) const
void	unrollVectorVector (vector< dvector > &vv, dmatrix &M, size_t i) const
void	update_xStag (const double t, const bool updateIntError)
double	targetFlamePosition (double t)
	[m]
void	printPerformanceStats (void)
void	printPerfString (std::ostream &stats, const std::string &label, const PerfTimer &T)
Public Member Functions inherited from GridBased
	GridBased ()
virtual	~GridBased ()
virtual void	setGrid (const OneDimGrid &grid)
	Copy the specified grid to this object.
Public Member Functions inherited from SplitSolver
	SplitSolver ()
virtual	~SplitSolver ()
void	setOptions (const ConfigOptions &_options)
	Set configuration options needed by the solver.
void	resize (index_t nRows, index_t nCols)
	Set the size of all internal arrays when the problem size changes.
void	calculateTimeDerivatives (double dt)
	Compute estimated time derivatives for each split term based on deltas for each integrator phase.
int	step ()
	Take one global timestep.
virtual void	setupStep ()=0
	Take actions at the start of the time step.
virtual int	finishStep ()=0
	Take actions at the end of a time step.
virtual void	prepareIntegrators ()=0
	Prepare split term integrators.
void	integrateSplitTerms (double t, double dt)
	Take one global timestep by integrating the split terms and computing the deltas for each integrator phase.
virtual void	writeStateFile (const std::string &fileName="", bool errorFile=false, bool updateDerivatives=true)
	Create prof.h5 file.

Public Attributes
dvector	timeVector
	Time [s] at the end of every ConfigOptions::outputStepInterval timesteps.
dvector	heatReleaseRate
	Integral heat release rate [W/m^2] at the times in timeVector.
long int	nTotal
	total number of timesteps taken
int	nRegrid
	number of time steps since regridding/adaptation
int	nOutput
	number of time steps since storing integral flame parameters
int	nProfile
	number of time steps since saving flame profiles
int	nTerminate
	number of steps since last checking termination condition
int	nCurrentState
	number of time steps since profNow.h5 and out.h5 were written
double	terminationCondition
	Current value to be compared with terminationTolerance.
double	tOutput
	time of next integral flame parameters output (this step)
double	tRegrid
	time of next regridding
double	tProfile
	time of next profile output
boost::ptr_vector< SourceSystem >	sourceTerms
vector< bool >	useCVODE
boost::ptr_vector< DiffusionSystem >	diffusionTerms
boost::ptr_vector< TridiagonalIntegrator >	diffusionSolvers
ConvectionSystemSplit	convectionSystem
	System representing the convection terms and containing their integrators.
double	rhou
double	rhob
double	rhoLeft
double	rhoRight
double	Tleft
double	Tright
dvec	Yleft
dvec	Yright
size_t	nSpec
	Number of chemical species.
size_t	nVars
	Number of state variables at each grid point (nSpec + 2)
VecMap	U
	normalized tangential velocity (u*a/u_inf) [1/s]
VecMap	T
	temperature [K]
MatrixMap	Y
	species mass fractions, Y(k,j) [-]
dvec	rho
	density [kg/m^3]
dvec	drhodt
	time derivative of density [kg/m^3*s]
dvec	jCorr
	Correction to ensure sum of mass fractions = 1.
dvec	sumcpj
	part of the enthalpy flux term
dvec	qDot
	Heat release rate [W/m^3].
dmatrix	wDot
	species production rates [kmol/m^3*s]
dvec	Wmx
	mixture molecular weight [kg/kmol]
dvec	W
	species molecular weights [kg/kmol]
dvec	mu
	dynamic viscosity [Pa*s]
dvec	lambda
	thermal conductivity [W/m*K]
dvec	cp
	mixture heat capacity [J/kg*K]
dmatrix	cpSpec
	species molar heat capacities [J/kmol*K]
dmatrix	rhoD
	density * diffusivity [kg/m*s]
dmatrix	Dkt
	thermal diffusivity
dmatrix	hk
	species molar enthalpies [J/kmol]
dmatrix	jFick
	Fickian mass flux [kg/m^2*s].
dmatrix	jSoret
	Soret mass flux [kg/m^2*s].
DiffusionSystem	jCorrSystem
TridiagonalIntegrator	jCorrSolver
ScalarFunction *	strainfunc
	Function which describes strain rate a(t) and its derivative.
ScalarFunction *	rateMultiplierFunction
	Function which describes a multiplier for the chemical reaction rates.
LoggerCallback *	stateWriter
LoggerCallback *	timeseriesWriter
IntegratorCallback *	heatLossFunction
double	rVcenter
	mass flux at centerline [kg/m^2 or kg/m*rad*s]
double	rVzero
	mass flux at j=0
double	tFlamePrev
double	tFlameNext
double	xFlameTarget
double	xFlameActual
double	flamePosIntegralError
CanteraGas	gas
	Cantera data.
tbb::enumerable_thread_specific< CanteraGas >	gases
std::mutex	gasInitMutex
std::unique_ptr< tbb::global_control >	tbbTaskSched
std::shared_ptr< BilinearInterpolator >	vzInterp
	Data for solving quasi-2D method-of-lines problems.
std::shared_ptr< BilinearInterpolator >	vrInterp
std::shared_ptr< BilinearInterpolator >	TInterp
PerfTimer	totalTimer
PerfTimer	setupTimer
PerfTimer	reactionTimer
PerfTimer	diffusionTimer
PerfTimer	convectionTimer
PerfTimer	regridTimer
PerfTimer	reactionRatesTimer
PerfTimer	transportTimer
PerfTimer	thermoTimer
PerfTimer	jacobianTimer
PerfTimer	conductivityTimer
PerfTimer	viscosityTimer
PerfTimer	diffusivityTimer
Public Attributes inherited from GridBased
OneDimGrid	grid
	the actual grid
Public Attributes inherited from SplitSolver
dmatrix	state
	Current state.
dmatrix	startState
	State at the start of the current integrator stage.
dmatrix	deltaConv
	Change in state due to convection terms during the current time step.
dmatrix	deltaDiff
	Change in state due to diffusion terms during the current time step.
dmatrix	deltaProd
	Change in state due to production terms during the current time step.
dmatrix	ddtConv
	Estimated time derivatives of convection terms, based on the deltaConv of the previous time step.
dmatrix	ddtDiff
	Estimated time derivatives of the diffusion terms, based on the deltaDiff of the previous time step.
dmatrix	ddtProd
	Estimated time derivatives of production terms, based on the deltaProd of the previous time step.
dmatrix	ddtCross
	Time derivative associated with terms taken as constant over a time step.
dmatrix	splitConstConv
	Splitting constants for the convection terms.
dmatrix	splitConstDiff
	Splitting constants for the diffusion terms.
dmatrix	splitConstProd
	Splitting constants for the production terms.
PerfTimer	splitTimer
	Timer for amount of time used by splitting procedure.
ConfigOptions	options
	Options read from the input file.
double	tStart
	Integrator start time.
double	tEnd
	Integrator termination time (upper bound)
double	tNow
	Current time reached by the integrator.
double	tStageStart
	Start time for the active integrator stage.
double	tStageEnd
	End time for the active integrator stage.
double	t
	start time of the current global timestep
double	dt
	Global timestep used by the split solver.

Additional Inherited Members
Protected Attributes inherited from GridBased
dvec &	x
	The coordinates of the grid points [m].
dvec &	r
	"radius" at x[j].
dvec &	rphalf
	"radius" at x[j+1/2].
dvec &	hh
	Grid spacing between x[j] and x[j+1].
dvec &	dlj
	Average of left and right grid spacing.
dvec &	cfm
	Coefficient for y[j-1] in first centered difference.
dvec &	cf
	Coefficient for y[j] in first centered difference.
dvec &	cfp
	Coefficient for y[j+1] in first centered difference.
int &	alpha
	curved grid exponent.
int &	beta
	curved grid exponent.
size_t &	nPoints
	number of grid point
size_t &	jj
	index of last grid point (== nPoints-1)

Detailed Description

Class which manages the main integration loop.

Contains the split solvers and is responsible for the large-scale time integration.

Constructor & Destructor Documentation

FlameSolver()

FlameSolver::FlameSolver

(

)

~FlameSolver()

FlameSolver::~FlameSolver ( )

virtual

Member Function Documentation

setOptions()

void FlameSolver::setOptions

(

const ConfigOptions &

options

)

Set options read from the configuration file.

initialize()

void FlameSolver::initialize

(

void

)

call to generate profiles and perform one-time setup

finalize()

void FlameSolver::finalize

(

)

loadProfile()

void FlameSolver::loadProfile ( void  )

virtual

Load initial temperature, mass fraction and velocity profiles.

Profiles are loaded either from an HDF5 "restart" file or from the the ConfigOptions object, populated from the Python "Config" object.

checkTerminationCondition()

bool FlameSolver::checkTerminationCondition

(

void

)

Determine whether to terminate integration based on reaching steady-state solution.

writeStateFile()

void FlameSolver::writeStateFile ( const std::string &  fileName = "", bool  errorFile = false, bool  updateDerivatives = true  )

virtual

Create prof.h5 file.

Parameters

fileName	The name of the output file.
errorFile	Setting this to 'true' will generate a more verbose output file
updateDerivatives	Setting this to 'true' will compute time derivatives based on the current state. This flag should only set if all of the solvers and auxillary arrays are sized corresponding to the current state, e.g. after integration but but before regridding.

Reimplemented from SplitSolver.

saveTimeSeriesData()

void FlameSolver::saveTimeSeriesData	(	const std::string &	filename,
		bool	write
	)

Collect info for out.h5 file.

getHeatReleaseRate()

double FlameSolver::getHeatReleaseRate

(

void

)

Compute integral heat release rate [W/m^2].

Assumes that qDot has already been updated.

getConsumptionSpeed()

double FlameSolver::getConsumptionSpeed

(

void

)

Compute flame consumption speed [m/s].

Computed by integrating the energy equation:

\[ S_c = \frac{\int_{-\infty}^\infty \dot{q}/c_p}{\rho_u(T_b-T_u)} \]

Assumes that qDot has already been updated.

getFlamePosition()

double FlameSolver::getFlamePosition

(

void

)

Compute position of flame (heat release centroid) [m].

setupStep()

void FlameSolver::setupStep ( )

virtual

Take actions at the start of the time step.

Used by derived classes to perform actions that need to be done at the start of a time step, before the splitting constants are computed.

Implements SplitSolver.

prepareIntegrators()

void FlameSolver::prepareIntegrators ( )

virtual

Prepare split term integrators.

Used by derived classes to assign split constants to the integrators for the individual terms and perform any other actions that should take place

Implements SplitSolver.

finishStep()

int FlameSolver::finishStep ( )

virtual

Take actions at the end of a time step.

Used by derived classes to perform any actions that need to be done at the end of the time step, after the time derivatives have been calculated based on the results of integrating the split equations.

Implements SplitSolver.

resizeAuxiliary()

void FlameSolver::resizeAuxiliary

(

)

Handle resizing of data structures as grid size changes.

resizeMappedArrays()

void FlameSolver::resizeMappedArrays

(

)

update data that shadows SplitSolver arrays

updateCrossTerms()

void FlameSolver::updateCrossTerms

(

)

calculates values of cross-component terms: jSoret, sumcpj, and jCorr

updateChemicalProperties() [1/2]

void FlameSolver::updateChemicalProperties

(

)

Update thermodynamic, transport, and kinetic properties.

updateChemicalProperties() [2/2]

void FlameSolver::updateChemicalProperties	(	size_t	j1,
		size_t	j2
	)

Update thermodynamic, transport, and kinetic properties.

updateBC()

void FlameSolver::updateBC

(

)

Set boundary condition for left edge of domain.

calculateQdot()

void FlameSolver::calculateQdot

(

)

Compute heat release rate using the current temperature and mass fractions.

correctMassFractions()

void FlameSolver::correctMassFractions

(

)

Correct the drift of the total mass fractions and reset any negative mass fractions.

setDiffusionSolverState()

void FlameSolver::setDiffusionSolverState

(

double

tInitial

)

setConvectionSolverState()

void FlameSolver::setConvectionSolverState

(

double

tInitial

)

setProductionSolverState()

void FlameSolver::setProductionSolverState

(

double

tInitial

)

integrateConvectionTerms()

void FlameSolver::integrateConvectionTerms ( )

virtual

Implements SplitSolver.

integrateProductionTerms() [1/2]

void FlameSolver::integrateProductionTerms ( )

virtual

Implements SplitSolver.

integrateDiffusionTerms() [1/2]

void FlameSolver::integrateDiffusionTerms ( )

virtual

Implements SplitSolver.

integrateProductionTerms() [2/2]

void FlameSolver::integrateProductionTerms	(	size_t	j1,
		size_t	j2
	)

integrateDiffusionTerms() [2/2]

void FlameSolver::integrateDiffusionTerms	(	size_t	k1,
		size_t	k2
	)

rollVectorVector()

void FlameSolver::rollVectorVector	(	vector< dvector > &	vv,
		const dmatrix &	M
	)		const

unrollVectorVector()

void FlameSolver::unrollVectorVector	(	vector< dvector > &	vv,
		dmatrix &	M,
		size_t	i
	)		const

update_xStag()

void FlameSolver::update_xStag	(	const double	t,
		const bool	updateIntError
	)

targetFlamePosition()

double FlameSolver::targetFlamePosition

(

double

t

)

[m]

printPerformanceStats()

void FlameSolver::printPerformanceStats

(

void

)

printPerfString()

void FlameSolver::printPerfString	(	std::ostream &	stats,
		const std::string &	label,
		const PerfTimer &	T
	)

Member Data Documentation

timeVector

dvector FlameSolver::timeVector

Time [s] at the end of every ConfigOptions::outputStepInterval timesteps.

heatReleaseRate

dvector FlameSolver::heatReleaseRate

Integral heat release rate [W/m^2] at the times in timeVector.

nTotal

long int FlameSolver::nTotal

total number of timesteps taken

nRegrid

int FlameSolver::nRegrid

number of time steps since regridding/adaptation

nOutput

int FlameSolver::nOutput

number of time steps since storing integral flame parameters

nProfile

int FlameSolver::nProfile

number of time steps since saving flame profiles

nTerminate

int FlameSolver::nTerminate

number of steps since last checking termination condition

nCurrentState

int FlameSolver::nCurrentState

number of time steps since profNow.h5 and out.h5 were written

terminationCondition

double FlameSolver::terminationCondition

Current value to be compared with terminationTolerance.

tOutput

double FlameSolver::tOutput

time of next integral flame parameters output (this step)

tRegrid

double FlameSolver::tRegrid

time of next regridding

tProfile

double FlameSolver::tProfile

time of next profile output

sourceTerms

boost::ptr_vector<SourceSystem> FlameSolver::sourceTerms

useCVODE

vector<bool> FlameSolver::useCVODE

diffusionTerms

boost::ptr_vector<DiffusionSystem> FlameSolver::diffusionTerms

diffusionSolvers

boost::ptr_vector<TridiagonalIntegrator> FlameSolver::diffusionSolvers

convectionSystem

ConvectionSystemSplit FlameSolver::convectionSystem

System representing the convection terms and containing their integrators.

rhou

double FlameSolver::rhou

rhob

double FlameSolver::rhob

rhoLeft

double FlameSolver::rhoLeft

rhoRight

double FlameSolver::rhoRight

Tleft

double FlameSolver::Tleft

Tright

double FlameSolver::Tright

Yleft

dvec FlameSolver::Yleft

Yright

dvec FlameSolver::Yright

nSpec

size_t FlameSolver::nSpec

Number of chemical species.

nVars

size_t FlameSolver::nVars

Number of state variables at each grid point (nSpec + 2)

U

VecMap FlameSolver::U

normalized tangential velocity (u*a/u_inf) [1/s]

T

VecMap FlameSolver::T

temperature [K]

Y

MatrixMap FlameSolver::Y

species mass fractions, Y(k,j) [-]

rho

dvec FlameSolver::rho

density [kg/m^3]

drhodt

dvec FlameSolver::drhodt

time derivative of density [kg/m^3*s]

jCorr

dvec FlameSolver::jCorr

Correction to ensure sum of mass fractions = 1.

sumcpj

dvec FlameSolver::sumcpj

part of the enthalpy flux term

qDot

dvec FlameSolver::qDot

Heat release rate [W/m^3].

wDot

dmatrix FlameSolver::wDot

species production rates [kmol/m^3*s]

Wmx

dvec FlameSolver::Wmx

mixture molecular weight [kg/kmol]

W

dvec FlameSolver::W

species molecular weights [kg/kmol]

mu

dvec FlameSolver::mu

dynamic viscosity [Pa*s]

lambda

dvec FlameSolver::lambda

thermal conductivity [W/m*K]

cp

dvec FlameSolver::cp

mixture heat capacity [J/kg*K]

cpSpec

dmatrix FlameSolver::cpSpec

species molar heat capacities [J/kmol*K]

rhoD

dmatrix FlameSolver::rhoD

density * diffusivity [kg/m*s]

Dkt

dmatrix FlameSolver::Dkt

thermal diffusivity

hk

dmatrix FlameSolver::hk

species molar enthalpies [J/kmol]

jFick

dmatrix FlameSolver::jFick

Fickian mass flux [kg/m^2*s].

jSoret

dmatrix FlameSolver::jSoret

Soret mass flux [kg/m^2*s].

jCorrSystem

DiffusionSystem FlameSolver::jCorrSystem

jCorrSolver

TridiagonalIntegrator FlameSolver::jCorrSolver

strainfunc

ScalarFunction* FlameSolver::strainfunc

Function which describes strain rate a(t) and its derivative.

rateMultiplierFunction

ScalarFunction* FlameSolver::rateMultiplierFunction

Function which describes a multiplier for the chemical reaction rates.

stateWriter

LoggerCallback* FlameSolver::stateWriter

timeseriesWriter

LoggerCallback* FlameSolver::timeseriesWriter

heatLossFunction

IntegratorCallback* FlameSolver::heatLossFunction

rVcenter

double FlameSolver::rVcenter

mass flux at centerline [kg/m^2 or kg/m*rad*s]

rVzero

double FlameSolver::rVzero

mass flux at j=0

tFlamePrev

double FlameSolver::tFlamePrev

tFlameNext

double FlameSolver::tFlameNext

xFlameTarget

double FlameSolver::xFlameTarget

xFlameActual

double FlameSolver::xFlameActual

flamePosIntegralError

double FlameSolver::flamePosIntegralError

gas

CanteraGas FlameSolver::gas

Cantera data.

gases

tbb::enumerable_thread_specific<CanteraGas> FlameSolver::gases

gasInitMutex

std::mutex FlameSolver::gasInitMutex

tbbTaskSched

std::unique_ptr<tbb::global_control> FlameSolver::tbbTaskSched

vzInterp

std::shared_ptr<BilinearInterpolator> FlameSolver::vzInterp

Data for solving quasi-2D method-of-lines problems.

vrInterp

std::shared_ptr<BilinearInterpolator> FlameSolver::vrInterp

TInterp

std::shared_ptr<BilinearInterpolator> FlameSolver::TInterp

totalTimer

PerfTimer FlameSolver::totalTimer

setupTimer

PerfTimer FlameSolver::setupTimer

reactionTimer

PerfTimer FlameSolver::reactionTimer

diffusionTimer

PerfTimer FlameSolver::diffusionTimer

convectionTimer

PerfTimer FlameSolver::convectionTimer

regridTimer

PerfTimer FlameSolver::regridTimer

reactionRatesTimer

PerfTimer FlameSolver::reactionRatesTimer

transportTimer

PerfTimer FlameSolver::transportTimer

thermoTimer

PerfTimer FlameSolver::thermoTimer

jacobianTimer

PerfTimer FlameSolver::jacobianTimer

conductivityTimer

PerfTimer FlameSolver::conductivityTimer

viscosityTimer

PerfTimer FlameSolver::viscosityTimer

diffusivityTimer

PerfTimer FlameSolver::diffusivityTimer

---

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

• src/flameSolver.h
• src/flameSolver.cpp