e744fdb5f1
The new flexible and extensible modular solvers structure already provides most
of the simulation functionality needed for single phase, multiphase,
multicomponent etc. fluid flow problems as well as a very effective method of
combining these with solid heat transfer, solid stress, surface film to solve
complex multi-region, multi-physics problems and are now the primary mechanism
for the further development of OpenFOAM simulation capability in future. To
emphasis this for both users and developers the applications/solvers directory
has been separated into applications/modules containing all the solver modules:
├── modules
│ ├── compressibleMultiphaseVoF
│ ├── compressibleVoF
│ ├── film
│ ├── fluid
│ ├── fluidSolver
│ ├── functions
│ ├── incompressibleDenseParticleFluid
│ ├── incompressibleDriftFlux
│ ├── incompressibleFluid
│ ├── incompressibleMultiphaseVoF
│ ├── incompressibleVoF
│ ├── isothermalFilm
│ ├── isothermalFluid
│ ├── movingMesh
│ ├── multicomponentFluid
│ ├── multiphaseEuler
│ ├── multiphaseVoFSolver
│ ├── shockFluid
│ ├── solid
│ ├── solidDisplacement
│ ├── twoPhaseSolver
│ ├── twoPhaseVoFSolver
│ ├── VoFSolver
│ └── XiFluid
applications/solvers containing the foamRun and foamMultiRun solver applications
which instantiate and execute the chosen solver modules and also standalone
solver applications for special initialisation and test activities:
├── solvers
│ ├── boundaryFoam
│ ├── chemFoam
│ ├── foamMultiRun
│ ├── foamRun
│ └── potentialFoam
and applications/legacy containing legacy solver applications which are not
currently being actively developed but the functionality of which will be merged
into the solver modules or form the basis of new solver modules as the need
arises:
├── legacy
│ ├── basic
│ │ ├── financialFoam
│ │ └── laplacianFoam
│ ├── combustion
│ │ └── PDRFoam
│ ├── compressible
│ │ └── rhoPorousSimpleFoam
│ ├── electromagnetics
│ │ ├── electrostaticFoam
│ │ ├── magneticFoam
│ │ └── mhdFoam
│ ├── incompressible
│ │ ├── adjointShapeOptimisationFoam
│ │ ├── dnsFoam
│ │ ├── icoFoam
│ │ ├── porousSimpleFoam
│ │ └── shallowWaterFoam
│ └── lagrangian
│ ├── dsmcFoam
│ ├── mdEquilibrationFoam
│ └── mdFoam
Correspondingly the tutorials directory structure has been reorganised with the
modular solver directories at the top level with names that make it easier for
users to find example cases relating to their particular requirements and a
legacy sub-directory containing cases corresponding to the legacy solver
applications listed above:
├── compressibleMultiphaseVoF
│ └── damBreak4phaseLaminar
├── compressibleVoF
│ ├── ballValve
│ ├── climbingRod
│ ├── damBreak
│ ├── depthCharge2D
│ ├── depthCharge3D
│ ├── sloshingTank2D
│ └── throttle
├── film
│ └── rivuletPanel
├── fluid
│ ├── aerofoilNACA0012
│ ├── aerofoilNACA0012Steady
│ ├── angledDuct
│ ├── angledDuctExplicitFixedCoeff
│ ├── angledDuctLTS
│ ├── annularThermalMixer
│ ├── BernardCells
│ ├── blockedChannel
│ ├── buoyantCavity
│ ├── cavity
│ ├── decompressionTank
│ ├── externalCoupledCavity
│ ├── forwardStep
│ ├── helmholtzResonance
│ ├── hotRadiationRoom
│ ├── hotRadiationRoomFvDOM
│ ├── hotRoom
│ ├── hotRoomBoussinesq
│ ├── hotRoomBoussinesqSteady
│ ├── hotRoomComfort
│ ├── iglooWithFridges
│ ├── mixerVessel2DMRF
│ ├── nacaAirfoil
│ ├── pitzDaily
│ ├── prism
│ ├── shockTube
│ ├── squareBend
│ ├── squareBendLiq
│ └── squareBendLiqSteady
├── incompressibleDenseParticleFluid
│ ├── column
│ ├── cyclone
│ ├── Goldschmidt
│ ├── GoldschmidtMPPIC
│ └── injectionChannel
├── incompressibleDriftFlux
│ ├── dahl
│ ├── mixerVessel2DMRF
│ └── tank3D
├── incompressibleFluid
│ ├── airFoil2D
│ ├── ballValve
│ ├── blockedChannel
│ ├── cavity
│ ├── cavityCoupledU
│ ├── channel395
│ ├── drivaerFastback
│ ├── ductSecondaryFlow
│ ├── elipsekkLOmega
│ ├── flowWithOpenBoundary
│ ├── hopperParticles
│ ├── impeller
│ ├── mixerSRF
│ ├── mixerVessel2D
│ ├── mixerVessel2DMRF
│ ├── mixerVesselHorizontal2DParticles
│ ├── motorBike
│ ├── motorBikeSteady
│ ├── movingCone
│ ├── offsetCylinder
│ ├── oscillatingInlet
│ ├── pipeCyclic
│ ├── pitzDaily
│ ├── pitzDailyLES
│ ├── pitzDailyLESDevelopedInlet
│ ├── pitzDailyLTS
│ ├── pitzDailyPulse
│ ├── pitzDailyScalarTransport
│ ├── pitzDailySteady
│ ├── pitzDailySteadyExperimentalInlet
│ ├── pitzDailySteadyMappedToPart
│ ├── pitzDailySteadyMappedToRefined
│ ├── planarContraction
│ ├── planarCouette
│ ├── planarPoiseuille
│ ├── porousBlockage
│ ├── propeller
│ ├── roomResidenceTime
│ ├── rotor2DRotating
│ ├── rotor2DSRF
│ ├── rotorDisk
│ ├── T3A
│ ├── TJunction
│ ├── TJunctionFan
│ ├── turbineSiting
│ ├── waveSubSurface
│ ├── windAroundBuildings
│ └── wingMotion
├── incompressibleMultiphaseVoF
│ ├── damBreak4phase
│ ├── damBreak4phaseFineLaminar
│ ├── damBreak4phaseLaminar
│ └── mixerVessel2DMRF
├── incompressibleVoF
│ ├── angledDuct
│ ├── capillaryRise
│ ├── cavitatingBullet
│ ├── climbingRod
│ ├── containerDischarge2D
│ ├── damBreak
│ ├── damBreakLaminar
│ ├── damBreakPorousBaffle
│ ├── damBreakWithObstacle
│ ├── DTCHull
│ ├── DTCHullMoving
│ ├── DTCHullWave
│ ├── floatingObject
│ ├── floatingObjectWaves
│ ├── forcedUpstreamWave
│ ├── mixerVessel
│ ├── mixerVessel2DMRF
│ ├── mixerVesselHorizontal2D
│ ├── nozzleFlow2D
│ ├── planingHullW3
│ ├── propeller
│ ├── sloshingCylinder
│ ├── sloshingTank2D
│ ├── sloshingTank2D3DoF
│ ├── sloshingTank3D
│ ├── sloshingTank3D3DoF
│ ├── sloshingTank3D6DoF
│ ├── testTubeMixer
│ ├── waterChannel
│ ├── wave
│ ├── wave3D
│ └── weirOverflow
├── isothermalFilm
│ └── rivuletPanel
├── isothermalFluid
│ ├── potentialFreeSurfaceMovingOscillatingBox
│ └── potentialFreeSurfaceOscillatingBox
├── legacy
│ ├── basic
│ │ ├── financialFoam
│ │ │ └── europeanCall
│ │ └── laplacianFoam
│ │ └── flange
│ ├── combustion
│ │ └── PDRFoam
│ │ └── flamePropagationWithObstacles
│ ├── compressible
│ │ └── rhoPorousSimpleFoam
│ │ ├── angledDuctExplicit
│ │ └── angledDuctImplicit
│ ├── electromagnetics
│ │ ├── electrostaticFoam
│ │ │ └── chargedWire
│ │ └── mhdFoam
│ │ └── hartmann
│ ├── incompressible
│ │ ├── adjointShapeOptimisationFoam
│ │ │ └── pitzDaily
│ │ ├── dnsFoam
│ │ │ └── boxTurb16
│ │ ├── icoFoam
│ │ │ ├── cavity
│ │ │ └── elbow
│ │ ├── porousSimpleFoam
│ │ │ ├── angledDuctExplicit
│ │ │ └── angledDuctImplicit
│ │ └── shallowWaterFoam
│ │ └── squareBump
│ ├── lagrangian
│ │ ├── dsmcFoam
│ │ │ ├── freeSpacePeriodic
│ │ │ ├── freeSpaceStream
│ │ │ ├── supersonicCorner
│ │ │ └── wedge15Ma5
│ │ ├── mdEquilibrationFoam
│ │ │ ├── periodicCubeArgon
│ │ │ └── periodicCubeWater
│ │ └── mdFoam
│ │ └── nanoNozzle
├── mesh
│ ├── blockMesh
│ │ ├── pipe
│ │ ├── sphere
│ │ ├── sphere7
│ │ └── sphere7ProjectedEdges
│ ├── refineMesh
│ │ └── refineFieldDirs
│ └── snappyHexMesh
│ ├── flange
│ └── pipe
├── movingMesh
│ └── SnakeRiverCanyon
├── multicomponentFluid
│ ├── aachenBomb
│ ├── counterFlowFlame2D
│ ├── counterFlowFlame2D_GRI
│ ├── counterFlowFlame2D_GRI_TDAC
│ ├── counterFlowFlame2DLTS
│ ├── counterFlowFlame2DLTS_GRI_TDAC
│ ├── DLR_A_LTS
│ ├── filter
│ ├── lockExchange
│ ├── membrane
│ ├── nc7h16
│ ├── parcelInBox
│ ├── SandiaD_LTS
│ ├── simplifiedSiwek
│ ├── smallPoolFire2D
│ ├── smallPoolFire3D
│ ├── verticalChannel
│ ├── verticalChannelLTS
│ └── verticalChannelSteady
├── multiphaseEuler
│ ├── bed
│ ├── bubbleColumn
│ ├── bubbleColumnEvaporating
│ ├── bubbleColumnEvaporatingDissolving
│ ├── bubbleColumnEvaporatingReacting
│ ├── bubbleColumnIATE
│ ├── bubbleColumnLaminar
│ ├── bubbleColumnLES
│ ├── bubblePipe
│ ├── damBreak4phase
│ ├── fluidisedBed
│ ├── fluidisedBedLaminar
│ ├── Grossetete
│ ├── hydrofoil
│ ├── injection
│ ├── LBend
│ ├── mixerVessel2D
│ ├── mixerVessel2DMRF
│ ├── pipeBend
│ ├── steamInjection
│ ├── titaniaSynthesis
│ ├── titaniaSynthesisSurface
│ ├── wallBoilingIATE
│ ├── wallBoilingPolydisperse
│ └── wallBoilingPolydisperseTwoGroups
├── multiRegion
│ ├── CHT
│ │ ├── circuitBoardCooling
│ │ ├── coolingCylinder2D
│ │ ├── coolingSphere
│ │ ├── heatedDuct
│ │ ├── heatExchanger
│ │ ├── multiphaseCoolingCylinder2D
│ │ ├── reverseBurner
│ │ ├── shellAndTubeHeatExchanger
│ │ ├── VoFcoolingCylinder2D
│ │ └── wallBoiling
│ └── film
│ ├── cylinder
│ ├── cylinderDripping
│ ├── cylinderVoF
│ ├── hotBoxes
│ ├── rivuletBox
│ ├── rivuletPanel
│ ├── splashPanel
│ └── VoFToFilm
├── potentialFoam
│ ├── cylinder
│ └── pitzDaily
├── resources
│ ├── blockMesh
│ ├── geometry
│ └── thermoData
├── shockFluid
│ ├── biconic25-55Run35
│ ├── forwardStep
│ ├── LadenburgJet60psi
│ ├── movingCone
│ ├── obliqueShock
│ ├── shockTube
│ └── wedge15Ma5
├── solidDisplacement
│ ├── beamEndLoad
│ └── plateHole
└── XiFluid
├── kivaTest
└── moriyoshiHomogeneous
1398 lines
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1398 lines
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|
|
lowCpCoeffs ( 3.67359 0.00201095 5.73022e-06 -6.87117e-09 2.54386e-12 16445 1.60456 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 3;
|
|
}
|
|
}
|
|
C2H5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0622;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.95466 0.0173973 -7.98207e-06 1.75218e-09 -1.49642e-13 12857.5 13.4624 );
|
|
lowCpCoeffs ( 4.30647 -0.00418659 4.97143e-05 -5.99127e-08 2.30509e-11 12841.6 4.70721 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 2;
|
|
H 5;
|
|
}
|
|
}
|
|
C2H4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0542;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.03611 0.0146454 -6.71078e-06 1.47223e-09 -1.25706e-13 4939.89 10.3054 );
|
|
lowCpCoeffs ( 3.9592 -0.00757052 5.7099e-05 -6.91589e-08 2.69884e-11 5089.78 4.09733 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 2;
|
|
H 4;
|
|
}
|
|
}
|
|
C3H8
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0972;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.53414 0.0188722 -6.27185e-06 9.14756e-10 -4.78381e-14 -16467.5 -17.8923 );
|
|
lowCpCoeffs ( 0.933554 0.0264246 6.10597e-06 -2.19775e-08 9.51493e-12 -13958.5 19.2017 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 3;
|
|
H 8;
|
|
}
|
|
}
|
|
HCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0258;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.80224 0.00314642 -1.06322e-06 1.66198e-10 -9.79976e-15 14407.3 1.57546 );
|
|
lowCpCoeffs ( 2.25899 0.0100512 -1.33518e-05 1.00923e-08 -3.0089e-12 14712.6 8.91644 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 1;
|
|
C 1;
|
|
N 1;
|
|
}
|
|
}
|
|
C2H6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0701;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.07188 0.0216853 -1.00256e-05 2.21412e-09 -1.90003e-13 -11426.4 15.1156 );
|
|
lowCpCoeffs ( 4.29142 -0.00550154 5.99438e-05 -7.08466e-08 2.68686e-11 -11522.2 2.66682 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 2;
|
|
H 6;
|
|
}
|
|
}
|
|
NH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0306;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.63445 0.00566626 -1.72787e-06 2.38672e-10 -1.25788e-14 -6544.7 6.56629 );
|
|
lowCpCoeffs ( 4.28603 -0.00466052 2.17185e-05 -2.28089e-08 8.2638e-12 -6741.73 -0.625373 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 1;
|
|
H 3;
|
|
}
|
|
}
|
|
CO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.01;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.85746 0.00441437 -2.21481e-06 5.2349e-10 -4.72084e-14 -48759.2 2.27164 );
|
|
lowCpCoeffs ( 2.35677 0.0089846 -7.12356e-06 2.45919e-09 -1.437e-13 -48372 9.90105 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
O 2;
|
|
}
|
|
}
|
|
C2H2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0382;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.14757 0.00596167 -2.37295e-06 4.67412e-10 -3.61235e-14 25936 -1.23028 );
|
|
lowCpCoeffs ( 0.808681 0.0233616 -3.55172e-05 2.80152e-08 -8.50073e-12 26429 13.9397 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 2;
|
|
H 2;
|
|
}
|
|
}
|
|
CH2OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0345;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.69267 0.00864577 -3.75101e-06 7.87235e-10 -6.48554e-14 -3242.51 5.81043 );
|
|
lowCpCoeffs ( 3.86389 0.00559672 5.93272e-06 -1.04532e-08 4.36967e-12 -3193.91 5.47302 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 3;
|
|
O 1;
|
|
}
|
|
}
|
|
H2CN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 4000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.2097 0.00296929 -2.85559e-07 -1.63555e-10 3.04326e-14 27677.1 -4.44448 );
|
|
lowCpCoeffs ( 2.85166 0.00569523 1.07114e-06 -1.62261e-09 -2.35111e-13 28637.8 8.99275 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 2;
|
|
C 1;
|
|
N 1;
|
|
}
|
|
}
|
|
HCCOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0376;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.92383 0.00679236 -2.56586e-06 4.49878e-10 -2.99401e-14 7264.63 -7.60177 );
|
|
lowCpCoeffs ( 1.24237 0.0310722 -5.08669e-05 4.31371e-08 -1.40146e-11 8031.61 13.8743 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 2;
|
|
O 1;
|
|
H 2;
|
|
}
|
|
}
|
|
H2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.165 0.00490832 -1.90139e-06 3.71186e-10 -2.87908e-14 -17861.8 2.91616 );
|
|
lowCpCoeffs ( 4.27611 -0.000542822 1.67336e-05 -2.15771e-08 8.62454e-12 -17702.6 3.43505 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 2;
|
|
O 2;
|
|
}
|
|
}
|
|
HCO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0185;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.77217 0.00495696 -2.48446e-06 5.89162e-10 -5.33509e-14 4011.92 9.79834 );
|
|
lowCpCoeffs ( 4.22119 -0.00324393 1.37799e-05 -1.33144e-08 4.33769e-12 3839.56 3.39437 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 1;
|
|
C 1;
|
|
O 1;
|
|
}
|
|
}
|
|
NNH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.76675 0.00289151 -1.04166e-06 1.68426e-10 -1.00919e-14 28650.7 4.47051 );
|
|
lowCpCoeffs ( 4.34469 -0.00484971 2.00595e-05 -2.17265e-08 7.94695e-12 28792 2.97794 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 2;
|
|
H 1;
|
|
}
|
|
}
|
|
N2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0128;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.82307 0.00262703 -9.58509e-07 1.60007e-10 -9.77523e-15 8073.4 -2.20172 );
|
|
lowCpCoeffs ( 2.25715 0.0113047 -1.36713e-05 9.68198e-09 -2.93072e-12 8741.77 10.758 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 2;
|
|
O 1;
|
|
}
|
|
}
|
|
CH2(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.29204 0.00465589 -2.01192e-06 4.17906e-10 -3.39716e-14 50926 8.6265 );
|
|
lowCpCoeffs ( 4.1986 -0.00236661 8.23296e-06 -6.68816e-09 1.94315e-12 50496.8 -0.769119 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 2;
|
|
}
|
|
}
|
|
O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.28254 0.00148309 -7.57967e-07 2.09471e-10 -2.16718e-14 -1088.46 5.45323 );
|
|
lowCpCoeffs ( 3.78246 -0.00299673 9.8473e-06 -9.6813e-09 3.24373e-12 -1063.94 3.65768 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
O 2;
|
|
}
|
|
}
|
|
CH2CHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0456;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.97567 0.00813059 -2.74362e-06 4.0703e-10 -2.17602e-14 490.322 -5.04525 );
|
|
lowCpCoeffs ( 3.40906 0.0107386 1.89149e-06 -7.15858e-09 2.86738e-12 1521.48 9.55829 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
O 1;
|
|
H 3;
|
|
C 2;
|
|
}
|
|
}
|
|
HNCO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1478;
|
|
highCpCoeffs ( 6.22395 0.00317864 -1.09379e-06 1.70735e-10 -9.95022e-15 -16659.9 -8.38225 );
|
|
lowCpCoeffs ( 3.63096 0.00730282 -2.2805e-06 -6.61271e-10 3.62236e-13 -15587.4 6.19458 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 1;
|
|
N 1;
|
|
C 1;
|
|
O 1;
|
|
}
|
|
}
|
|
HCCO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0297;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 4000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.62821 0.00408534 -1.59345e-06 2.86261e-10 -1.94078e-14 19327.2 -3.93026 );
|
|
lowCpCoeffs ( 2.25172 0.017655 -2.37291e-05 1.72758e-08 -5.06648e-12 20059.4 12.4904 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 1;
|
|
C 2;
|
|
O 1;
|
|
}
|
|
}
|
|
H2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 2.01594;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.33728 -4.94025e-05 4.99457e-07 -1.79566e-10 2.00255e-14 -950.159 -3.20502 );
|
|
lowCpCoeffs ( 2.34433 0.00798052 -1.94782e-05 2.01572e-08 -7.37612e-12 -917.935 0.68301 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 2;
|
|
}
|
|
}
|
|
NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0055;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.88475 0.0021724 -8.28069e-07 1.57475e-10 -1.05109e-14 2316.5 -0.117417 );
|
|
lowCpCoeffs ( 3.94403 -0.00158543 1.66578e-05 -2.04754e-08 7.83506e-12 2896.62 6.31199 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 1;
|
|
O 2;
|
|
}
|
|
}
|
|
CH4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 0.0748515 0.0133909 -5.73286e-06 1.22293e-09 -1.01815e-13 -9468.34 18.4373 );
|
|
lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84743e-08 1.66694e-11 -10246.6 -4.6413 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 4;
|
|
}
|
|
}
|
|
C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 12.0112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.49267 4.79889e-05 -7.24335e-08 3.74291e-11 -4.87278e-15 85451.3 4.8015 );
|
|
lowCpCoeffs ( 2.55424 -0.000321538 7.33792e-07 -7.32235e-10 2.66521e-13 85443.9 4.53131 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
}
|
|
}
|
|
HO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.01721 0.00223982 -6.33658e-07 1.14246e-10 -1.07909e-14 111.857 3.7851 );
|
|
lowCpCoeffs ( 4.3018 -0.00474912 2.11583e-05 -2.42764e-08 9.29225e-12 294.808 3.71666 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 1;
|
|
O 2;
|
|
}
|
|
}
|
|
CH3CHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0536;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.40411 0.0117231 -4.22631e-06 6.83725e-10 -4.09849e-14 -22593.1 -3.48079 );
|
|
lowCpCoeffs ( 4.72946 -0.00319329 4.75349e-05 -5.74586e-08 2.19311e-11 -21572.9 4.10302 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 2;
|
|
H 4;
|
|
O 1;
|
|
}
|
|
}
|
|
C3H7
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0892;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.7027 0.0160442 -5.28332e-06 7.62986e-10 -3.93923e-14 8298.43 -15.4802 );
|
|
lowCpCoeffs ( 1.05155 0.025992 2.38005e-06 -1.96096e-08 9.37325e-12 10631.9 21.1226 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 3;
|
|
H 7;
|
|
}
|
|
}
|
|
CH3OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0424;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.78971 0.0140938 -6.36501e-06 1.38171e-09 -1.1706e-13 -25374.9 14.5024 );
|
|
lowCpCoeffs ( 5.7154 -0.0152309 6.52441e-05 -7.10807e-08 2.61353e-11 -25642.8 -1.5041 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 4;
|
|
O 1;
|
|
}
|
|
}
|
|
CH2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0265;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.76069 0.0092 -4.42259e-06 1.00641e-09 -8.83856e-14 -13995.8 13.6563 );
|
|
lowCpCoeffs ( 4.79372 -0.00990833 3.7322e-05 -3.79285e-08 1.31773e-11 -14309 0.602813 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 2;
|
|
C 1;
|
|
O 1;
|
|
}
|
|
}
|
|
CO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0106;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.71519 0.00206253 -9.98826e-07 2.30053e-10 -2.03648e-14 -14151.9 7.81869 );
|
|
lowCpCoeffs ( 3.57953 -0.000610354 1.01681e-06 9.07006e-10 -9.04424e-13 -14344.1 3.50841 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
O 1;
|
|
}
|
|
}
|
|
CH3O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0345;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.7708 0.0078715 -2.65638e-06 3.94443e-10 -2.11262e-14 127.833 2.92957 );
|
|
lowCpCoeffs ( 2.1062 0.0072166 5.33847e-06 -7.37764e-09 2.07561e-12 978.601 13.1522 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 3;
|
|
O 1;
|
|
}
|
|
}
|
|
O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.9994;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.56942 -8.59741e-05 4.19485e-08 -1.00178e-11 1.22834e-15 29217.6 4.78434 );
|
|
lowCpCoeffs ( 3.16827 -0.00327932 6.64306e-06 -6.12807e-09 2.11266e-12 29122.3 2.05193 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
O 1;
|
|
}
|
|
}
|
|
HCNN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0325;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.89464 0.0039896 -1.59824e-06 2.92494e-10 -2.00947e-14 53452.9 -5.10305 );
|
|
lowCpCoeffs ( 2.52432 0.0159606 -1.88164e-05 1.21255e-08 -3.23574e-12 54262 11.6759 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
N 2;
|
|
H 1;
|
|
}
|
|
}
|
|
NCO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0173;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.15218 0.00230518 -8.80332e-07 1.47891e-10 -9.0978e-15 14004.1 -2.54427 );
|
|
lowCpCoeffs ( 2.82693 0.00880517 -8.38661e-06 4.8017e-09 -1.33136e-12 14682.5 9.55046 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 1;
|
|
C 1;
|
|
O 1;
|
|
}
|
|
}
|
|
CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.8741 0.00365639 -1.40895e-06 2.6018e-10 -1.87728e-14 46263.6 6.17119 );
|
|
lowCpCoeffs ( 3.76268 0.000968872 2.7949e-06 -3.85091e-09 1.68742e-12 46004 1.56253 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 2;
|
|
}
|
|
}
|
|
HCNO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1382;
|
|
highCpCoeffs ( 6.5986 0.00302779 -1.07704e-06 1.71667e-10 -1.01439e-14 17966.1 -10.3307 );
|
|
lowCpCoeffs ( 2.64728 0.0127505 -1.04794e-05 4.41433e-09 -7.57521e-13 19299 10.7333 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 1;
|
|
N 1;
|
|
C 1;
|
|
O 1;
|
|
}
|
|
}
|
|
NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0226;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.83474 0.00320731 -9.33908e-07 1.3703e-10 -7.92061e-15 22172 6.52042 );
|
|
lowCpCoeffs ( 4.204 -0.00210614 7.10683e-06 -5.61152e-09 1.64407e-12 21885.9 -0.141842 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 1;
|
|
H 2;
|
|
}
|
|
}
|
|
H2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.03399 0.00217692 -1.64073e-07 -9.7042e-11 1.68201e-14 -30004.3 4.96677 );
|
|
lowCpCoeffs ( 4.19864 -0.00203643 6.5204e-06 -5.48797e-09 1.77198e-12 -30293.7 -0.849032 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 2;
|
|
O 1;
|
|
}
|
|
}
|
|
NH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.78369 0.00132984 -4.2478e-07 7.83485e-11 -5.50445e-15 42120.8 5.74078 );
|
|
lowCpCoeffs ( 3.49291 0.000311792 -1.48905e-06 2.48164e-09 -1.0357e-12 41880.6 1.84833 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 1;
|
|
H 1;
|
|
}
|
|
}
|
|
H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 1.00797;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 -2.30843e-11 1.61562e-14 -4.73515e-18 4.98197e-22 25473.7 -0.446683 );
|
|
lowCpCoeffs ( 2.5 7.05333e-13 -1.99592e-15 2.30082e-18 -9.27732e-22 25473.7 -0.446683 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
H 1;
|
|
}
|
|
}
|
|
AR
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.948;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -745.375 4.366 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -745.375 4.366 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
Ar 1;
|
|
}
|
|
}
|
|
NO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.26061 0.0011911 -4.2917e-07 6.94577e-11 -4.03361e-15 9920.97 6.3693 );
|
|
lowCpCoeffs ( 4.21848 -0.00463898 1.1041e-05 -9.33614e-09 2.80358e-12 9844.62 2.28085 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
N 1;
|
|
O 1;
|
|
}
|
|
}
|
|
CH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.87846 0.000970914 1.44446e-07 -1.30688e-10 1.76079e-14 71012.4 5.48498 );
|
|
lowCpCoeffs ( 3.48982 0.000323836 -1.68899e-06 3.16217e-09 -1.40609e-12 70797.3 2.08401 );
|
|
}
|
|
transport
|
|
{
|
|
As 1.67212e-06;
|
|
Ts 170.672;
|
|
}
|
|
elements
|
|
{
|
|
C 1;
|
|
H 1;
|
|
}
|
|
}
|