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NASA Thermochemistry Code - Sample Input Files

Combustion of a solid rocket propellant using aluminum as fuel


reactants
n 1.     h 4.     cl1.     o 4.              72.06   -70690.  s298.15  o
c 1.     h 1.86955o .031256s .008415         18.58   -2999.082l298.15  f
al1.                                          9.00    0.0     s298.15  f
mg1.     o 1.                       00         .20            s298.15
h 2.     o 1.                                  .16   -68317.4 l298.15

insert         al2o3(l)
namelists
 &inpt2  kase=50,hp=t,psia=t,p=500,250,125,50,5,trnspt=t,siunit=t&end


Detonation of H_2/O_2 gases at stoichiometric conditions
reactants
o 2.                                00       100.0   0.0      g298.15  o
h 2.                                00       100.    0.       g298.15  f

namelists
 &inpt2 kase=52,detn=t,eratio=t,mix=1,t=298.15,500, p=1,trnspt=t,
  nodata=t&end


Combustion of a liquid propellant combination at specified mixture ratio
reactants
n 2.     h 8.     c 2.                       50.     12734.8  l298.15  f  .7861
n 2.     h 4.                                50.     12050.   l298.15  f 1.0036
f 2.                                         100.    -3098.   l 85.02  o 1.505

namelists
 &inpt2 kase=122,p=1000,psia=t,of=t,mix=2.5,rkt=t,trnspt=t&end
 &rktinp pcp=10,68.0457, subar=10,5,3,2,1.5,1.1,1.01,1.001,
   supar=1.0005,1.05,1.1,1.5,1.8,2,5,10,100,200,500,1000&end


Constant T,P problem (we generally don't use this in our applications) note that the ingredients are input in actual no. of moles
reactants
si1.     o 2.                                .01    m
si3.     n 4.                                .1     m
mg1.     f 2.                                 .02   m
n 2.                                         1.     m

namelists
 &inpt2 kase=200,tp=t,t=2173,2073,1973,1873,1773,p=1,trace=1.e-16&end


Airbreather - combustion of hydrogen in air. also note the use of omit cards (normally we use these sparingly since we don't wish to limit the composition to a select few gases)
reactants
h 2.                                         100.    0.       g298.15  f
n 1.56176o .419590ar.009324c .000300         100.    -28.2    g298.15  o

omit           c2h4           c3o2           h2o(s)         c(gr)
omit           c2n2           h2o(l)         c2o            c2h2
omit           ho2            h2o2
omit           nh2            ch2            ch             nh3
omit           c2n            ch3            no2            ch4
omit           hcn            c2h            c3             n2o
omit           n2c            c2             cn             hco
omit           n2h4           n2o4           cn2
namelists
 &inpt2 kase=950, tp=t,p=.1,.01,eratio=t,mix=1.5,1,2, t=3000,2000,
   trnspt=t&end


Input deck for a shock-tube problem (gives the composition behind a shock wave)
reactants
h 2.                                00       0.050  m         g 300.00
o 2.                                00       0.050  m         g 300.00
ar1.                                00       0.900  m         g 300.00

namelists
 &inpt2 kase=1207,p=10,20,mmhg=t, shock=t,trnspt=t&end
 &shkinp u1=1000,1100,1200,1250,1300,1350,1400,1450,1500,incdeq=t,incdfz=t&end


Constant volume combustion such as that in an internal combustion engine....
reactants
n 2.                                00       .75524           g647.95  o
o 2.                                00       .23144           g647.95  o
ar1.                                00       .01286           g647.95  o
c 1.     o 2.                       00       .00046           g647.95  o
c 7.     h 8.                                .4       2867.   l 298.15 f
c 8.     h 18.                               .6      -59740.  l 298.15 f

namelists
 &inpt2 kase=1565,uv=t,v=300,225.24,of=t,mix=17,trace=1.e-15&end


Rocket combustion problem with the fuel being a nasty slurry of hydrazine and beryllium - exhaust products for this baby are highly toxic
reactants
n 2.     h 4.                                 80.    12050.   l298.15  f 1.0036
be1.                                          20.    0.0      s298.15  f 1.85
h 2.     o 2.                                100.    -44880.  l298.15  o 1.407

insert         beo(l)
namelists
 &inpt2  kase=5612,fpct=t,mix=67,p=1000,500,psia=t,rkt=t&end
 &rktinp  pcp=3,10,30,300,  froz=f                     &end


Rocket example, this is set up to do combustion in the SSME (space shuttle main engine) with liquid oxygen and liquid hydrogen as propellants
reactants
h 2.                                         100.      -2154. l  20.27 f.0709
o 2.                                         100.      -3102. l  90.18 o1.149

namelists
 &inpt2 kase=6666,p=3000,psia=t,fpct=t,mix=20,rkt=t ,trnspt=t&end
 &rktinp supar=1.5,2.5,4.,pcp=2.5,3,4,10,30,subar=2,3,10,nfz=4&end
end