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parameter.ini
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! =============================================================================== !
! EQUATION (linearscalaradvection)
! =============================================================================== !
IniExactFunc = 0
! =============================================================================== !
! DISCRETIZATION
! =============================================================================== !
N = 1 ! Polynomial degree
NAnalyze = 1 ! Number of analyze points
! =============================================================================== !
! MESH
! =============================================================================== !
MeshFile = cube_mesh.h5
useCurveds = F
! =============================================================================== !
! OUTPUT / VISUALIZATION
! =============================================================================== !
ProjectName = feature_dissoc_rate
IterDisplayStep = 100
Part-AnalyzeStep = 200
CalcTemp = FALSE
CalcNumSpec = FALSE
CalcReacRates = TRUE
Logging = F
! =============================================================================== !
! CALCULATION
! =============================================================================== !
TrackingMethod = triatracking
tend = 2E-6 ! End time
Analyze_dt = 2E-6 ! Timestep of analyze outputs
CFLscale = 0.2 ! Scaling of theoretical CFL number
! =============================================================================== !
! BOUNDARY CONDITIONS
! =============================================================================== !
Part-nBounds=1
Part-Boundary1-SourceName=BC_adiabat
Part-Boundary1-Condition=reflective
Part-FIBGMdeltas=(/1.16E-6,1.16E-6,1.16E-6/)
! =============================================================================== !
! PARTICLES
! =============================================================================== !
Part-maxParticleNumber=30000
Part-nSpecies=3
Part-Species$-MacroParticleFactor=1E2
! =============================================================================== !
! Species1 - CO2
! =============================================================================== !
Part-Species1-MassIC=7.30800E-26 ! CO2 Molecular Mass
Part-Species1-ChargeIC=0
Part-Species1-nInits=1
Part-Species1-Init1-SpaceIC=cuboid
Part-Species1-Init1-velocityDistribution=maxwell
Part-Species1-Init1-PartDensity=1E22
Part-Species1-Init1-BasePointIC=(/0.,0.,0./)
Part-Species1-Init1-BaseVector1IC=(/4.64E-6,0.,0./)
Part-Species1-Init1-BaseVector2IC=(/0.,4.64E-6,0./)
Part-Species1-Init1-NormalIC=(/0.,0.,1./)
Part-Species1-Init1-CuboidHeightIC=4.64E-6
Part-Species1-Init1-VeloIC=0
Part-Species1-Init1-VeloVecIC=(/0.,0.,1./)
Part-Species1-Init1-MWTemperatureIC=crosscombinations
Part-Species1-Init1-TempVib=crosscombinations
Part-Species1-Init1-TempRot=crosscombinations
! =============================================================================== !
! Species2 - CO
! =============================================================================== !
Part-Species2-MassIC=4.65100E-26 ! CO Molecular Mass
Part-Species2-ChargeIC=0
Part-Species2-nInits=1
Part-Species2-Init1-SpaceIC=cuboid
Part-Species2-Init1-velocityDistribution=maxwell
Part-Species2-Init1-PartDensity=1E22
Part-Species2-Init1-BasePointIC=(/0.,0.,0./)
Part-Species2-Init1-BaseVector1IC=(/4.64E-6,0.,0./)
Part-Species2-Init1-BaseVector2IC=(/0.,4.64E-6,0./)
Part-Species2-Init1-NormalIC=(/0.,0.,1./)
Part-Species2-Init1-CuboidHeightIC=4.64E-6
Part-Species2-Init1-VeloIC=0
Part-Species2-Init1-VeloVecIC=(/0.,0.,1./)
Part-Species2-Init1-MWTemperatureIC=crosscombinations
Part-Species2-Init1-TempVib=crosscombinations
Part-Species2-Init1-TempRot=crosscombinations
! =============================================================================== !
! Species3 - O
! =============================================================================== !
Part-Species3-MassIC=2.65700E-26 ! O Molecular Mass
Part-Species3-ChargeIC=0
Part-Species3-nInits=1
Part-Species3-Init1-SpaceIC=cuboid
Part-Species3-Init1-velocityDistribution=maxwell
Part-Species3-Init1-PartDensity=1E22
Part-Species3-Init1-BasePointIC=(/0.,0.,0./)
Part-Species3-Init1-BaseVector1IC=(/4.64E-6,0.,0./)
Part-Species3-Init1-BaseVector2IC=(/0.,4.64E-6,0./)
Part-Species3-Init1-NormalIC=(/0.,0.,1./)
Part-Species3-Init1-CuboidHeightIC=4.64E-6
Part-Species3-Init1-VeloIC=0
Part-Species3-Init1-VeloVecIC=(/0.,0.,1./)
Part-Species3-Init1-MWTemperatureIC=crosscombinations
! =============================================================================== !
! DSMC
! =============================================================================== !
UseDSMC=true
Particles-DSMCReservoirSim=true
Particles-DSMCReservoirSimRate=true
Particles-DSMCReservoirStatistic=false
Particles-DSMC-CollisMode=3 !(1:elast coll, 2: elast + rela, 3:chem)
Part-NumberOfRandomSeeds=2
Particles-RandomSeed1=1
Particles-RandomSeed2=2
ManualTimeStep=1.0E-8
Particles-HaloEpsVelo=5000
Particles-DSMC-CalcQualityFactors=true
Particles-DSMC-BackwardReacRate = true
Particles-DSMC-PartitionMaxTemp = 120000.
Particles-DSMC-PartitionInterval= 20.
Particles-DSMC-ElectronicModel = 0
Particles-DSMCElectronicDatabase = DSMCSpecies_electronic_state_full_Data.h5
EpsMergeElectronicState = 0.0
crosscombinations=7500,10000,12500,15000