TALK=T;RUN(1,1)
DISPLAY
The example considered is the steady combustion of an H2-O2-N2
mixture in a 1d plug-flow reactor (PSR) at atmospheric pressure.
The case is a steady-state emulation of the transient zero-d PSR
test case described in the CHEMKIN SANDIA Report 'PSR: A Fortran
program for modelling well-stirred reactors', P.Glarborg et al,
SAND86-8209, (1992). Species diffusion and heat conduction are
absent. As with all CHEMKIN calculations, cgs units are used.
The first cell is intended to represent the reactor volume of
67.4cm^3, and the nominal residence time is 0.03msec. The inlet
mass flow rate is 364g/s and the inlet mole fractions are:
H2=0.275; O2=0.1375; and N2=0.5875. The inlet temperature is 298K
and there is no heat loss from the reactor. The H2-O2 reaction
mechanism, which is defined in the file HO11.CKM, is simpler than
that used in the SANDIA report. The reaction scheme used is taken
from; "Numerical Methods in Laminar Flame Propagation", Vol. 6,
Notes on Numerical Fluid Mechanics, Ed. Peters, N. & Warnatz, J.
(1992).
ENDDIS
************************************************************
Group 1. Run Title and Number
************************************************************
************************************************************
TEXT(CHEMKIN-1DY Plug Flow H2-O2 Reactor 201 )
************************************************************
************************************************************
IRUNN = 1 ;LIBREF = 14
************************************************************
Group 2. Time dependence
STEADY = T
************************************************************
Group 3. X-Direction Grid Spacing
CARTES = T
NX = 1
XULAST =67.400002
XFRAC(1)=1.
************************************************************
Group 4. Y-Direction Grid Spacing
NY = 2
YVLAST =2.
YFRAC(1)=0.5 ;YFRAC(2)=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(5)=V1
NAME(16)=H2 ;NAME(17)=H
NAME(18)=O2 ;NAME(19)=O
NAME(20)=OH ;NAME(21)=HO2
NAME(22)=H2O ;NAME(23)=N2
NAME(144)=SPH1 ;NAME(145)=QDOT
NAME(146)=ELO ;NAME(147)=ELN
NAME(148)=ELH ;NAME(149)=TEM1
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(V1,Y,Y,N,N,N,Y)
SOLUTN(H2,Y,Y,N,N,N,Y)
SOLUTN(H,Y,Y,N,N,N,Y)
SOLUTN(O2,Y,Y,N,N,N,Y)
SOLUTN(O,Y,Y,N,N,N,Y)
SOLUTN(OH,Y,Y,N,N,N,Y)
SOLUTN(HO2,Y,Y,N,N,N,Y)
SOLUTN(H2O,Y,Y,N,N,N,Y)
SOLUTN(N2,Y,N,N,N,N,Y)
SOLUTN(SPH1,Y,N,N,N,N,Y)
SOLUTN(QDOT,Y,N,N,N,N,Y)
SOLUTN(ELO,Y,N,N,N,N,Y)
SOLUTN(ELN,Y,N,N,N,N,Y)
SOLUTN(ELH,Y,N,N,N,N,Y)
SOLUTN(TEM1,Y,Y,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(V1,Y,Y,Y,Y,Y,Y)
TERMS(H2,N,Y,Y,Y,Y,Y)
TERMS(H,N,Y,Y,Y,N,Y)
TERMS(O2,N,Y,Y,Y,Y,Y)
TERMS(O,N,Y,Y,Y,N,Y)
TERMS(OH,N,Y,Y,Y,Y,Y)
TERMS(HO2,N,Y,Y,Y,N,Y)
TERMS(H2O,N,Y,Y,Y,Y,Y)
TERMS(TEM1,N,Y,N,Y,Y,N)
DIFCUT =0.5 ;ZDIFAC =1.
GALA = F ;ADDDIF = F
NEWRH1 = T
ISOLX = -1 ;ISOLY = -1 ;ISOLZ = -1
DENPCO = T
************************************************************
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 =0. ;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(V1)=1. ;PRNDTL(H2)=1.
PRNDTL(H)=1. ;PRNDTL(O2)=1.
PRNDTL(O)=1. ;PRNDTL(OH)=1.
PRNDTL(HO2)=1. ;PRNDTL(H2O)=1.
PRT(V1)=1. ;PRT(H2)=1.
PRT(H)=1. ;PRT(O2)=1.
PRT(O)=1. ;PRT(OH)=1.
PRT(HO2)=1. ;PRT(H2O)=1.
CP1 = GRND9 ;CP2 =1.
CP1A =0. ;CP1B =0. ;CP1C =0. ;CP1D =0.
************************************************************
Group 10.Inter-Phase Transfer Processes
************************************************************
Group 11.Initial field variables (PHIs)
FIINIT(P1)=1.0E-10 ;FIINIT(V1)=1.0E-10
FIINIT(H2)=0.025701 ;FIINIT(H)=0.
FIINIT(O2)=0.205607 ;FIINIT(O)=0.
FIINIT(OH)=0. ;FIINIT(HO2)=0.
FIINIT(H2O)=0. ;FIINIT(N2)=0.768692
FIINIT(SPH1)=1.0E-10 ;FIINIT(QDOT)=1.0E-10
FIINIT(ELO)=1.0E-10 ;FIINIT(ELN)=1.0E-10
FIINIT(ELH)=1.0E-10 ;FIINIT(TEM1)=1700.
FIINIT(DEN1)=1.0E-10
PATCH(ICHEMK1 ,INIVAL, 1, 1, 1, 2, 1, 1, 1, 1)
INIT(ICHEMK1 ,DEN1,0. , GRND1 )
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(NOCPCK1 ,SOUTH , 1, 1, 1, 1, 1, 1, 1, 1)
COVAL(NOCPCK1 ,P1 , FIXFLU ,5.400593 )
COVAL(NOCPCK1 ,V1 ,0. , GRND9 )
COVAL(NOCPCK1 ,H2 ,0. ,0.025701 )
COVAL(NOCPCK1 ,H ,0. ,0. )
COVAL(NOCPCK1 ,O2 ,0. ,0.205607 )
COVAL(NOCPCK1 ,O ,0. ,0. )
COVAL(NOCPCK1 ,OH ,0. ,0. )
COVAL(NOCPCK1 ,HO2 ,0. ,0. )
COVAL(NOCPCK1 ,H2O ,0. ,0. )
COVAL(NOCPCK1 ,N2 ,0. ,0.768692 )
COVAL(NOCPCK1 ,TEM1,0. , GRND9 )
PATCH(OUT1 ,NORTH , 1, 1, 2, 2, 1, 1, 1, 1)
COVAL(OUT1 ,P1 ,1000. ,0. )
COVAL(OUT1 ,V1 ,0. ,0. )
COVAL(OUT1 ,H2 ,0. , SAME )
COVAL(OUT1 ,H ,0. , SAME )
COVAL(OUT1 ,O2 ,0. , SAME )
COVAL(OUT1 ,O ,0. , SAME )
COVAL(OUT1 ,OH ,0. , SAME )
COVAL(OUT1 ,HO2 ,0. , SAME )
COVAL(OUT1 ,H2O ,0. , SAME )
COVAL(OUT1 ,TEM1,0. , SAME )
PATCH(CHEMK1 ,VOLUME, 0, 0, 0, 0, 0, 0, 1, 1)
COVAL(CHEMK1 ,H2 , GRND9 , GRND9 )
COVAL(CHEMK1 ,H , GRND9 , GRND9 )
COVAL(CHEMK1 ,O2 , GRND9 , GRND9 )
COVAL(CHEMK1 ,O , GRND9 , GRND9 )
COVAL(CHEMK1 ,OH , GRND9 , GRND9 )
COVAL(CHEMK1 ,HO2 , GRND9 , GRND9 )
COVAL(CHEMK1 ,H2O , GRND9 , GRND9 )
COVAL(CHEMK1 ,TEM1, GRND9 , GRND9 )
XCYCLE = F
EGWF = T
WALLCO = GRND2
************************************************************
Group 14. Downstream Pressure For PARAB
************************************************************
Group 15. Terminate Sweeps
LSWEEP = 1000 ;ISWC1 = 1
LITHYD = 1 ;LITFLX = 1 ;LITC = 1 ;ITHC1 = 1
SELREF = T
RESFAC =1.0E-05
************************************************************
Group 16. Terminate Iterations
LITER(P1)=20 ;LITER(V1)=10
LITER(H2)=20 ;LITER(H)=20
LITER(O2)=20 ;LITER(O)=20
LITER(OH)=20 ;LITER(HO2)=20
LITER(H2O)=20 ;LITER(TEM1)=20
ENDIT(P1)=1.0E-03 ;ENDIT(V1)=1.0E-03
ENDIT(H2)=1.0E-06 ;ENDIT(H)=1.0E-06
ENDIT(O2)=1.0E-06 ;ENDIT(O)=1.0E-06
ENDIT(OH)=1.0E-06 ;ENDIT(HO2)=1.0E-06
ENDIT(H2O)=1.0E-06 ;ENDIT(TEM1)=1.0E-10
************************************************************
Group 17. Relaxation
RELAX(P1,LINRLX,1.)
RELAX(V1,FALSDT,3.0E-05)
RELAX(H2,FALSDT,6.0E-05)
RELAX(H,FALSDT,6.0E-05)
RELAX(O2,FALSDT,6.0E-05)
RELAX(O,FALSDT,6.0E-05)
RELAX(OH,FALSDT,6.0E-05)
RELAX(HO2,FALSDT,6.0E-05)
RELAX(H2O,FALSDT,6.0E-05)
RELAX(N2,LINRLX,6.0E-05)
RELAX(SPH1,LINRLX,1.)
RELAX(QDOT,LINRLX,1.)
RELAX(ELO,LINRLX,1.)
RELAX(ELN,LINRLX,1.)
RELAX(ELH,LINRLX,1.)
RELAX(TEM1,FALSDT,2.1E-07)
RELAX(DEN1,LINRLX,1.)
OVRRLX =0.
EXPERT = F ;NNORSL = F
************************************************************
Group 18. Limits
VARMAX(P1)=1.0E+10 ;VARMIN(P1)=-1.0E+10
VARMAX(V1)=1.0E+06 ;VARMIN(V1)=-1.0E+06
VARMAX(H2)=1. ;VARMIN(H2)=0.
VARMAX(H)=1. ;VARMIN(H)=0.
VARMAX(O2)=1. ;VARMIN(O2)=0.
VARMAX(O)=1. ;VARMIN(O)=0.
VARMAX(OH)=1. ;VARMIN(OH)=0.
VARMAX(HO2)=1. ;VARMIN(HO2)=0.
VARMAX(H2O)=1. ;VARMIN(H2O)=0.
VARMAX(N2)=1. ;VARMIN(N2)=0.
VARMAX(SPH1)=1.0E+10 ;VARMIN(SPH1)=-1.0E+10
VARMAX(QDOT)=1.0E+10 ;VARMIN(QDOT)=-1.0E+10
VARMAX(ELO)=1.0E+10 ;VARMIN(ELO)=-1.0E+10
VARMAX(ELN)=1.0E+10 ;VARMIN(ELN)=-1.0E+10
VARMAX(ELH)=1.0E+10 ;VARMIN(ELH)=-1.0E+10
VARMAX(TEM1)=1.0E+10 ;VARMIN(TEM1)=200.
VARMAX(DEN1)=1.0E+10 ;VARMIN(DEN1)=-1.0E+10
************************************************************
Group 19. Data transmitted to GROUND
PARSOL = F
CHMKIN = T
ISG62 = 1
CHSOB =16.
CHSOC =1.
CSG4 ='ho11'
SPEDAT(SET,GXMONI,PLOTALL,L,T)
************************************************************
Group 20. Preliminary Printout
************************************************************
Group 21. Print-out of Variables
INIFLD = T ;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(V1,Y,N,Y,Y,Y,Y)
OUTPUT(H2,Y,N,Y,Y,Y,Y)
OUTPUT(H,Y,N,Y,Y,Y,Y)
OUTPUT(O2,Y,N,Y,Y,Y,Y)
OUTPUT(O,Y,N,Y,Y,Y,Y)
OUTPUT(OH,Y,N,Y,Y,Y,Y)
OUTPUT(HO2,Y,N,Y,Y,Y,Y)
OUTPUT(H2O,Y,N,Y,Y,Y,Y)
OUTPUT(N2,Y,N,Y,N,Y,N)
OUTPUT(SPH1,Y,N,Y,N,N,N)
OUTPUT(QDOT,Y,N,Y,N,N,N)
OUTPUT(ELO,Y,N,Y,N,N,N)
OUTPUT(ELN,Y,N,Y,N,N,N)
OUTPUT(ELH,Y,N,Y,N,N,N)
OUTPUT(TEM1,Y,N,Y,Y,Y,Y)
OUTPUT(DEN1,Y,Y,Y,Y,Y,Y)
************************************************************
Group 22. Monitor Print-Out
IXMON = 1 ;IYMON = 1 ;IZMON = 1
NPRMON = 100000 ;NPRMNT = 1 ;TSTSWP = -50
UWATCH = T ;USTEER = T
HIGHLO = F
************************************************************
Group 23.Field Print-Out & Plot Control
NPRINT = 100000 ;NUMCLS = 5
NYPRIN = 1 ;IYPRF = 1 ;IYPRL = 10000
IPLTF = 1 ;IPLTL = -1 ;NPLT = 50
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