TALK=T;RUN(1,1)
DISPLAY
This simple CHEMKIN test problem concerns the 1d flow of H2 into
a duct and its subsequent dissociation into H. For demonstration
purposes, species diffusion is absent and the calculation is
performed at a constant temperature of 300K. The operating
pressure is 1 atmosphere. As with all CHEMKIN calculations, cgs
units are used. A linear reaction rate is defined for H2=>2H in
the file REAC.CKM, i.e. SH2=-WH2*Kf*XH2 and SH=+WH*2.*Kf*XH2
where: Kf=10.0 s^-1, Wk is the molecular mass of species k, and
Xk is the molar concentration of species k in mol/cm^3. Note
Xk=RHO*Yk/Wk where RHO is the mixture density in g/cm^3 and Yk is
the mass fraction of species k. The run is set up so that the
default calculation is performed with the CHEMKIN TWOPNT point-
by-point (PBP) solver, although for testing purposes the option
exists to select the PHOENICS PBP solver.
ENDDIS
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Group 1. Run Title and Number
************************************************************
************************************************************
TEXT(1DX Simple H2=>2H Reaction Test Case )
************************************************************
************************************************************
IRUNN = 1 ;LIBREF = 14
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Group 2. Time dependence
STEADY = T
************************************************************
Group 3. X-Direction Grid Spacing
CARTES = T
NX = 10
XULAST =1.
XFRAC(1)=0.1 ;XFRAC(2)=0.2
XFRAC(3)=0.3 ;XFRAC(4)=0.4
XFRAC(5)=0.5 ;XFRAC(6)=0.6
XFRAC(7)=0.7 ;XFRAC(8)=0.8
XFRAC(9)=0.9 ;XFRAC(10)=1.
************************************************************
Group 4. Y-Direction Grid Spacing
NY = 1
YVLAST =1.
YFRAC(1)=1.
************************************************************
Group 5. Z-Direction Grid Spacing
PARAB = F
NZ = 1
ZWLAST =1.
ZFRAC(1)=1.
************************************************************
Group 6. Body-Fitted Coordinates
************************************************************
Group 7. Variables: STOREd,SOLVEd,NAMEd
ONEPHS = T
NAME(1)=P1 ;NAME(3)=U1
NAME(16)=H2 ;NAME(17)=H
NAME(18)=N2 ;NAME(148)=ELN
NAME(149)=ELH ;NAME(150)=DEN1
* Y in SOLUTN argument list denotes:
* 1-stored 2-solved 3-whole-field
* 4-point-by-point 5-explicit 6-harmonic averaging
SOLUTN(P1,Y,Y,N,N,N,Y)
SOLUTN(U1,Y,Y,N,N,N,Y)
SOLUTN(H2,Y,Y,N,N,N,Y)
SOLUTN(H,Y,Y,N,N,N,Y)
SOLUTN(N2,Y,N,N,N,N,Y)
SOLUTN(ELN,Y,N,N,N,N,Y)
SOLUTN(ELH,Y,N,N,N,N,Y)
SOLUTN(DEN1,Y,N,N,N,N,Y)
DEN1 = 150
************************************************************
Group 8. Terms & Devices
* Y in TERMS argument list denotes:
* 1-built-in source 2-convection 3-diffusion 4-transient
* 5-first phase variable 6-interphase transport
TERMS(P1,Y,Y,Y,N,Y,Y)
TERMS(U1,Y,Y,Y,Y,Y,Y)
TERMS(H2,N,Y,N,Y,Y,Y)
TERMS(H,N,Y,N,Y,N,Y)
DIFCUT =0.5 ;ZDIFAC =1.
GALA = F ;ADDDIF = F
NEWRH1 = T
ISOLX = -1 ;ISOLY = -1 ;ISOLZ = -1
************************************************************
Group 9. Properties used if PRPS is not
stored, and where PRPS = -1.0 if it is!
RHO1 = GRND9 ;TMP1 =0. ;EL1 =0.
TSURR =0. ;TEMP0 =300. ;PRESS0 =0.
DVO1DT =0. ;DRH1DP =0.
RHO1A =0. ;RHO1B =0. ;RHO1C =0.
EMISS =0. ;SCATT =0.
RADIA =0. ;RADIB =0.
ENUL =1.0E-05 ;ENUT =0.
PRNDTL(U1)=1.
PRT(U1)=1.
CP1 =1. ;CP2 =1.
************************************************************
Group 10.Inter-Phase Transfer Processes
************************************************************
Group 11.Initial field variables (PHIs)
FIINIT(P1)=1.0E-10 ;FIINIT(U1)=1.
FIINIT(H2)=1. ;FIINIT(H)=0.
FIINIT(N2)=0. ;FIINIT(ELN)=1.0E-10
FIINIT(ELH)=1.0E-10 ;FIINIT(DEN1)=1.0E-10
No PATCHes yet used for this Group
INIADD = F
FSWEEP = 1
NAMFI =CHAM
************************************************************
Group 12. Patchwise adjustment of terms
Patches for this group are printed with those
for Group 13.
Their names begin either with GP12 or &
************************************************************
Group 13. Boundary & Special Sources
PATCH(NOCPCKIN,WEST , 1, 1, 1, 1, 1, 1, 1, 1)
COVAL(NOCPCKIN,P1 , FIXFLU , GRND9 )
COVAL(NOCPCKIN,U1 ,0. ,1. )
COVAL(NOCPCKIN,H2 ,0. ,1. )
COVAL(NOCPCKIN,H ,0. ,0. )
PATCH(OUTFLOW ,EAST , 10, 10, 1, 1, 1, 1, 1, 1)
COVAL(OUTFLOW ,P1 ,1000. ,0. )
COVAL(OUTFLOW ,U1 ,0. ,0. )
COVAL(OUTFLOW ,H2 ,0. , SAME )
COVAL(OUTFLOW ,H ,0. , SAME )
XCYCLE = F
EGWF = T
WALLCO = GRND2
************************************************************
Group 14. Downstream Pressure For PARAB
************************************************************
Group 15. Terminate Sweeps
LSWEEP = 15 ;ISWC1 = 1
LITHYD = 1 ;LITFLX = 1 ;LITC = 1 ;ITHC1 = 1
SELREF = T
RESFAC =1.0E-05
************************************************************
Group 16. Terminate Iterations
LITER(P1)=20 ;LITER(U1)=10
LITER(H2)=20 ;LITER(H)=20
ENDIT(P1)=1.0E-03 ;ENDIT(U1)=1.0E-03
ENDIT(H2)=1.0E-10 ;ENDIT(H)=1.0E-10
************************************************************
Group 17. Relaxation
RELAX(P1,LINRLX,1.)
RELAX(U1,FALSDT,1.)
RELAX(H2,FALSDT,1.)
RELAX(H,FALSDT,1.)
RELAX(N2,LINRLX,1.)
RELAX(ELN,LINRLX,1.)
RELAX(ELH,LINRLX,1.)
RELAX(DEN1,LINRLX,1.)
OVRRLX =0.
EXPERT = F ;NNORSL = F
************************************************************
Group 18. Limits
VARMAX(P1)=1.0E+10 ;VARMIN(P1)=-1.0E+10
VARMAX(U1)=1.0E+06 ;VARMIN(U1)=-1.0E+06
VARMAX(H2)=1. ;VARMIN(H2)=0.
VARMAX(H)=1. ;VARMIN(H)=0.
VARMAX(N2)=1. ;VARMIN(N2)=0.
VARMAX(ELN)=1.0E+10 ;VARMIN(ELN)=-1.0E+10
VARMAX(ELH)=1.0E+10 ;VARMIN(ELH)=-1.0E+10
VARMAX(DEN1)=1.0E+10 ;VARMIN(DEN1)=-1.0E+10
************************************************************
Group 19. Data transmitted to GROUND
PARSOL = F
CHMKIN = T
ISG62 = 1
CHSOA = GRND9 ;CHSOB =16.
CHSOC =1.
CSG4 ='reac'
SPEDAT(SET,CHEM,CONTEM,L,T)
SPEDAT(SET,GXMONI,PLOTALL,L,T)
************************************************************
Group 20. Preliminary Printout
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Group 21. Print-out of Variables
INIFLD = F ;SUBWGR = F
* Y in OUTPUT argument list denotes:
* 1-field 2-correction-eq. monitor 3-selective dumping
* 4-whole-field residual 5-spot-value table 6-residual table
OUTPUT(P1,Y,N,Y,Y,Y,Y)
OUTPUT(U1,Y,N,Y,Y,Y,Y)
OUTPUT(H2,Y,N,Y,Y,Y,Y)
OUTPUT(H,Y,N,Y,Y,Y,Y)
OUTPUT(N2,Y,N,Y,N,N,N)
OUTPUT(ELN,Y,N,Y,N,N,N)
OUTPUT(ELH,Y,N,Y,N,N,N)
OUTPUT(DEN1,Y,N,Y,N,N,N)
************************************************************
Group 22. Monitor Print-Out
IXMON = 9 ;IYMON = 1 ;IZMON = 1
NPRMON = 100000 ;NPRMNT = 1 ;TSTSWP = -1
UWATCH = T ;USTEER = T
HIGHLO = F
************************************************************
Group 23.Field Print-Out & Plot Control
NPRINT = 100000 ;NUMCLS = 5
NXPRIN = 1 ;IXPRF = 1 ;IXPRL = 10000
IPLTF = 1 ;IPLTL = -1 ;NPLT = 3
ISWPRF = 1 ;ISWPRL = 100000
ITABL = 3 ;IPROF = 1
ABSIZ =0.5 ;ORSIZ =0.4
NTZPRF = 1 ;NCOLPF = 50
ICHR = 2 ;NCOLCO = 45 ;NROWCO = 20
No PATCHes yet used for this Group
************************************************************
Group 24. Dumps For Restarts
SAVE = T ;NOWIPE = F
NSAVE =CHAM
STOP