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
Specific Heats : Propellants