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data.inp
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thermo nasa9
200.000 1000.000 6000.000 20000.000 9/09/04
H D0(H2):Herzberg,1970. Moore,1972. Gordon,1999.
3 g 6/97 H 1.00 0.00 0.00 0.00 0.00 0 1.0079400 217998.828
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.547370801D+04-4.466828530D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
6.078774250D+01-1.819354417D-01 2.500211817D+00-1.226512864D-07 3.732876330D-11
-5.687744560D-15 3.410210197D-19 2.547486398D+04-4.481917770D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.173757694D+08-1.312035403D+05 3.399174200D+01-3.813999680D-03 2.432854837D-07
-7.694275540D-12 9.644105630D-17 1.067638086D+06-2.742301051D+02
HO2 Hf:Hills,1984 & NASA data. Jacox,1998 p153.
2 g 4/02 H 1.00O 2.00 0.00 0.00 0.00 0 33.0067400 12020.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10002.162
-7.598882540D+04 1.329383918D+03-4.677388240D+00 2.508308202D-02-3.006551588D-05
1.895600056D-08-4.828567390D-12 0.000000000D+00-5.873350960D+03 5.193602140D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10002.162
-1.810669724D+06 4.963192030D+03-1.039498992D+00 4.560148530D-03-1.061859447D-06
1.144567878D-10-4.763064160D-15 0.000000000D+00-3.200817190D+04 4.066850920D+01
H2 Ref-Elm. Gurvich,1978 pt1 p103 pt2 p31.
3 tpis78 H 2.00 0.00 0.00 0.00 0.00 0 2.0158800 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.102
4.078323210D+04-8.009186040D+02 8.214702010D+00-1.269714457D-02 1.753605076D-05
-1.202860270D-08 3.368093490D-12 2.682484665D+03-3.043788844D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.102
5.608128010D+05-8.371504740D+02 2.975364532D+00 1.252249124D-03-3.740716190D-07
5.936625200D-11-3.606994100D-15 5.339824410D+03-2.202774769D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.102
4.966884120D+08-3.147547149D+05 7.984121880D+01-8.414789210D-03 4.753248350D-07
-1.371873492D-11 1.605461756D-16 2.488433516D+06-6.695728110D+02
H2O Hf:Cox,1989. Woolley,1987. TRC(10/88) tuv25.
2 g 8/89 H 2.00O 1.00 0.00 0.00 0.00 0 18.0152800 -241826.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9904.092
-3.947960830D+04 5.755731020D+02 9.317826530D-01 7.222712860D-03-7.342557370D-06
4.955043490D-09-1.336933246D-12 -3.303974310D+04 1.724205775D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9904.092
1.034972096D+06-2.412698562D+03 4.646110780D+00 2.291998307D-03-6.836830480D-07
9.426468930D-11-4.822380530D-15 -1.384286509D+04-7.978148510D+00
H2O2 Hf:Gurvich,1989 pt1 p127. Gurvich,1978 pt1 p121.
2 g 6/99 H 2.00O 2.00 0.00 0.00 0.00 0 34.0146800 -135880.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11158.835
-9.279533580D+04 1.564748385D+03-5.976460140D+00 3.270744520D-02-3.932193260D-05
2.509255235D-08-6.465045290D-12 -2.494004728D+04 5.877174180D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11158.835
1.489428027D+06-5.170821780D+03 1.128204970D+01-8.042397790D-05-1.818383769D-08
6.947265590D-12-4.827831900D-16 1.418251038D+04-4.650855660D+01
O D0(O2):Brix,1954. Moore,1976. Gordon,1999.
3 g 5/97 O 1.00 0.00 0.00 0.00 0.00 0 15.9994000 249175.003
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403
-7.953611300D+03 1.607177787D+02 1.966226438D+00 1.013670310D-03-1.110415423D-06
6.517507500D-10-1.584779251D-13 2.840362437D+04 8.404241820D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403
2.619020262D+05-7.298722030D+02 3.317177270D+00-4.281334360D-04 1.036104594D-07
-9.438304330D-12 2.725038297D-16 3.392428060D+04-6.679585350D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403
1.779004264D+08-1.082328257D+05 2.810778365D+01-2.975232262D-03 1.854997534D-07
-5.796231540D-12 7.191720164D-17 8.890942630D+05-2.181728151D+02
OH D0(H-OH): Ruscic,2002. Gurvich,1978 pt1 p110 pt2 p37.
3 g 4/02 O 1.00H 1.00 0.00 0.00 0.00 0 17.0073400 37278.206
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8813.106
-1.998858990D+03 9.300136160D+01 3.050854229D+00 1.529529288D-03-3.157890998D-06
3.315446180D-09-1.138762683D-12 0.000000000D+00 2.991214235D+03 4.674110790D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8813.106
1.017393379D+06-2.509957276D+03 5.116547860D+00 1.305299930D-04-8.284322260D-08
2.006475941D-11-1.556993656D-15 0.000000000D+00 2.019640206D+04-1.101282337D+01
6000.000 20000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8813.106
2.847234193D+08-1.859532612D+05 5.008240900D+01-5.142374980D-03 2.875536589D-07
-8.228817960D-12 9.567229020D-17 0.000000000D+00 1.468393908D+06-4.023555580D+02
O2 Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9.
3 tpis89 O 2.00 0.00 0.00 0.00 0.00 0 31.9988000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104
-3.425563420D+04 4.847000970D+02 1.119010961D+00 4.293889240D-03-6.836300520D-07
-2.023372700D-09 1.039040018D-12 -3.391454870D+03 1.849699470D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104
-1.037939022D+06 2.344830282D+03 1.819732036D+00 1.267847582D-03-2.188067988D-07
2.053719572D-11-8.193467050D-16 -1.689010929D+04 1.738716506D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104
4.975294300D+08-2.866106874D+05 6.690352250D+01-6.169959020D-03 3.016396027D-07
-7.421416600D-12 7.278175770D-17 2.293554027D+06-5.530621610D+02
H2O(cr) Ice. Gordon,1982.
1 g11/99 H 2.00O 1.00 0.00 0.00 0.00 1 18.0152800 -299108.000
200.000 273.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-4.026777480D+05 2.747887946D+03 5.738336630D+01-8.267915240D-01 4.413087980D-03
-1.054251164D-05 9.694495970D-09 -5.530314990D+04-1.902572063D+02
H2O(L) Liquid. Cox,1989. Haar,1984. Keenan,1984. Stimson,1969.
2 g 8/01 H 2.00O 1.00 0.00 0.00 0.00 2 18.0152800 -285830.000
273.150 373.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13278.000
1.326371304D+09-2.448295388D+07 1.879428776D+05-7.678995050D+02 1.761556813D+00
-2.151167128D-03 1.092570813D-06 1.101760476D+08-9.779700970D+05
373.150 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13278.000
1.263631001D+09-1.680380249D+07 9.278234790D+04-2.722373950D+02 4.479243760D-01
-3.919397430D-04 1.425743266D-07 8.113176880D+07-5.134418080D+05
END PRODUCTS
!H2(L) Hydrogen. McBride,1996 pp84,92.
! 0 g 6/96 H 2.00 0.00 0.00 0.00 0.00 1 2.0158800 -9012.000
! 20.270 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
!O2(L) Oxygen. McBride,1996 pp85,93.
! 0 g 6/96 O 2.00 0.00 0.00 0.00 0.00 1 31.9988000 -12979.000
! 90.170 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
!END REACTANTS