The dictionary CanteraTorchProperties
is the original dictionary of DeepFlame. It reads in network related parameters and configurations. It typically looks like:
chemistry on; CanteraMechanismFile "ES80_H2-7-16.yaml"; transportModel "Mix"; odeCoeffs { "relTol" 1e-15; "absTol" 1e-24; } inertSpecie "N2"; zeroDReactor { constantProperty "pressure"; } splittingStretagy false; TorchSettings { torch on; GPU off; log on; torchModel "HE04_Hydrogen_ESH2_GMS_sub_20221101"; coresPerNode 4; } loadbalancing { active false; //log true; }
In the above example, the meanings of the parameters are:
CanteraMechanismFile
: the name of the reaction mechanism file.transportModel
: the default model is Mix, but other models including UnityLewis and Multi are also availabile.constantProperty
: property set to be constant during reaction. It can be set to pressure or volume.odeCoeffs
: the ode tolerance. 1e-15 and 1e-24 are used for network training, so they should be kept the same when comparing results with and without DNN. Default values are 1e-9 and 1e-15.TorchSettings
: all paramenters regarding the usage of DNN. This section will not be read in CVODE cases.torch
: the switch used to control the on and off of DNN. If users are running CVODE, this needs to be switched off.GPU
: the switch used to control whether GPU or CPU is used to carry out inference.torchModel
: name of network.coresPerNode
: If you are using one node on a cluster or using your own PC, set this parameter to the actual number of cores used to run the task. If you are using more than one node on a cluster, set this parameter the total number of cores on one node. The number of GPUs used is auto-detected.
The dictionary combustionProperties
is the original dictionary of DeepFlame. It reads in network related parameters and configurations. It typically looks like:
combustionModel flareFGM;//PaSR,EDC EDCCoeffs { version v2005; } PaSRCoeffs { mixingScale { type globalScale;//globalScale,kolmogorovScale,geometriMeanScale,dynamicScale globalScaleCoeffs { Cmix 0.01; } dynamicScaleCoeffs { ChiType algebraic;// algebraic; transport; } } chemistryScale { type globalConvertion;//formationRate,globalConvertion globalConvertionCoeffs { fuel CH4; oxidizer O2; } } } flareFGMCoeffs { buffer false; scaledPV false; combustion false; ignition false; solveEnthalpy false; flameletT false; relaxation false; DpDt false; /*ignition false; ignBeginTime 0.1; ignDurationTime 0.0; x0 0.0; y0 0.0; z0 0.0; R0 0.0;*/ Sct 0.7; bufferTime 0.0; speciesName ("CO"); }
In the above example, the meanings of the parameters are:
combustionModel
: the name of the combustion model, alternative models include PaSR, EDC, flareFGM.EDCCoeffs, PaSRCoeffs, flareFGMCoeffs
: model cofficients we need to define.mixingScale
: turbulent mixing time scale including globalScale,kolmogorovScale,geometriMeanScale,dynamicScale.ChiType
: algebraic and transport are available for ChiType when selecting dynamicScale.chemistryScale
: chemistry reaction time scale including formationRate,globalConvertion .buffer
: switch for buffer time.scaledPV
:the switch is used to determine whether to use scaled progress variables or not.combustion
:the switch is used to control whether the chemical reactions are on or off.ignition
:the switch is used to control whether the ignition is on or off.solveEnthalpy
:the switch is used to determine whether to solve enthalpy equation or not.flameletT
:the switch is used to determine whether to read flame temperature from table or not.relaxation
:the switch is used to determine whether to use relaxation iteration for transport equations or not.DpDt
:the switch is used to determine whether to include material derivatives or not.ignBeginTime
:beginning time of ignition.ignDurationTime
:duration time of ignition.x0, y0, z0
:coordinate of ignition center.R0
:radius of ignition region.Sct
:turbulent Schmidt number, default value is set as 0.7.speciesName
:name of species we need to lookup.