ELEM H O AR N HE END SPEC H2 O2 H O O3 OH HO2 H2O2 H2O O2* O* OH* N2 AR HE END !300.000 1000.000 4000.000 THERMO O* O 1 G 300.000 4000.000 1000.000 1 0.25473243E+01-0.30650157E-04-0.36488581E-08 0.50632783E-11-0.50388354E-15 2 0.52603966E+05 0.49057715E+01 0.29447184E+01-0.16245506E-02 0.23936879E-05 3 -0.15974853E-08 0.40121429E-12 0.52524704E+05 0.29896558E+01 4 O2* O 2 G 300.000 4000.000 1000.000 1 0.33675704E+01 0.12173838E-02-0.51541280E-06 0.95880813E-10-0.64228138E-14 2 0.12559464E+05 0.39428670E+01 0.38815479E+01-0.35698672E-02 0.10762475E-04 3 -0.10154052E-07 0.32388956E-11 0.12593236E+05 0.21460579E+01 4 OH* O 1H 1 G 300.000 4000.000 1000.000 1 0.29509641E+01 0.90260926E-03-0.16713934E-06 0.85924661E-11 0.44182766E-15 2 0.50648280E+05 0.52307803E+01 0.35142308E+01 0.11573344E-02-0.43109152E-05 3 0.52789017E-08-0.19440835E-11 0.50410237E+05 0.18863960E+01 4 END REACTIONS KELVINS MOLES !Reactions A n "E, K" ! 1 H2+O2=>H+HO2 1.94E+14 0 29770 H+HO2=>H2+O2 2.39E+13 0.1 711 ! 2 H2+O2=>O+H2O 3.00E+13 0 35000 ! 3 H2+O2=>OH+OH 4.47E+11 0 17338 OH+OH=>H2+O2 1.70E+13 0 24100 ! 4 H2+AR=>H+H+AR 2.23E+14 0 48350 H2+H2=>H+H+H2 3.46E+14 0 48350 H2+O2=>H+H+O2 3.46E+14 0 48350 H2+H2O=>H+H+H2O 8.48E+19 -1.1 52530 H+H+AR=>H2+AR 6.48E+17 -1 0 H+H+H2=>H2+H2 9.72E+16 -0.6 0 H+H+H2O=>H2+H2O 1.00E+19 -1 0 H+H+H=>H2+H 3.20E+15 0 0 ! 5 O2+AR=>O+O+AR 1.50E+18 -1 59380 O2+O2=>O+O+O2 9.80E+24 -2.5 59380 O2+O=>O+O+O 3.50E+25 -2.5 59380 O2+O3=>O+O+O3 1.20E+19 -1 59380 O2+H2O=>O+O+H2O 1.20E+19 -1 59380 O+O+AR=>O2+AR 1.89E+13 0 -900 O+O+O2=>O2+O2 1.50E+16 -0.41 0 O+O+O=>O2+O 5.34E+16 -0.41 0 O+O+O3=>O2+O3 1.30E+14 0 -900 ! 6 H2+O2+O2=>HO2+HO2 2.00E+17 0 13000 ! 7 H2+OH=>H+H2O 2.53E+08 1.48 1700 H2O+H=>H2+OH 1.87E+14 0 10433 ! 8 OH+OH=>H2O+O 1.50E+09 1.14 50 H2O+O=>OH+OH 5.75E+13 0 9052 ! 9 O2+H=>OH+O 8.65E+14 -0.24 8200 OH+O=>H+O2 8.91E+12 0 -251 ! 10 H2+O=>OH+H 5.10E+04 2.67 3160 OH+H=>O+H2 4.88E+03 2.8 1950 ! 11 O2+O+AR=>O3+AR 4.30E+12 0 -1050 O2+O+O2=>O3+O2 3.26E+19 -2.06 0 O2+O+O=>O3+O 2.28E+15 -0.5 -700 O2+O+O3=>O3+O3 1.67E+15 -0.51 -700 O3+AR=>O2+O+AR 2.48E+14 0 11430 O3+O2=>O2+O+O2 1.54E+14 0 11600 O3+O=>O2+O+O 2.48E+15 0 11430 O3+O3=>O2+O+O3 4.40E+14 0 11600 ! 12 O2+H+AR=>HO2+AR 6.10E+17 -0.8 0 O2+H+O2=>HO2+O2 2.70E+18 -1 0 O2+H+H2=>HO2+H2 2.09E+18 -0.8 0 O2+H+H2O=>HO2+H2O 1.56E+18 -0.8 0 HO2+AR=O2+H+AR 2.10E+15 0 23000 HO2+O2=O2+H+O2 2.80E+15 0 23000 ! 13 H2O2+AR=>OH+OH+AR 6.00E+16 0 22900 H2O2+H2=>OH+OH+H2 3.20E+17 0 23820 H2O2+H2O2=>OH+OH+H2O2 2.51E+18 0 24154 OH+OH+AR=H2O2+AR 6.33E+23 -2.53 42 OH+OH+H2O=H2O2+H2O 1.44E+18 0 0 ! 14 H+OH+AR=>H2O+AR 8.30E+21 -2 0 H+OH+H2=>H2O+H2 2.00E+20 -1 0 H+OH+OH=>H2O+OH 8.34E+15 0 0 H+OH+H2O=>H2O+H2O 1.40E+23 -2 0 H2O+AR=H+OH+AR 4.00E+23 -2.2 59000 H2O+O2=H+OH+O2 3.50E+15 0 52920 H2O+H2O=H+OH+H2O 1.60E+17 0 57491 ! 15 H+O+M=>OH+M 4.71E+18 -1 0 OH+AR=O+H+AR 2.41E+15 0 50000 OH+O2=O+H+O2 2.41E+15 0 50000 ! 16 OH+O+AR=>HO2+AR 8.00E+16 0 0 ! 17 OH+H2O=>H2+HO2 7.90E+09 0.43 36100 ! 18 O2+OH=>O+HO2 2.23E+13 0 26500 HO2+O=>OH+O2 1.75E+13 0 -200 ! 19 HO2+H=>OH+OH 1.69E+14 0 440 OH+OH=>H+HO2 1.20E+13 0 20200 ! 20 OH+HO2=>H2O+O2 2.85E+13 0 -250 H2O+O2=>OH+HO2 5.60E+13 0.17 36600 ! 21 OH+O3=>O2+HO2 9.60E+11 0 1000 ! 22 O2+O2=>O3+O 1.20E+13 0 50500 O3+O=>O2+O2 4.82E+12 0 2060 ! 23 O2+OH=>H+O3 4.40E+07 1.44 38600 O3+H=>OH+O2 6.87E+13 0 437 ! 24 HO2+O3=>OH+O2+O2 1.66E+11 -0.284 1000 ! 25 H2+HO2=>H2O2+H 3.01E+13 0 13100 H+H2O2=>HO2+H2 1.69E+12 0 1890 ! 26 H2+H2O2=>H2O+OH+H 8.69E+12 0.5 18347 ! 27 H2O2+O2=>HO2+HO2 5.42E+13 0 20000 HO2+HO2=>H2O2+O2 1.80E+12 0 0 ! 28 H+H2O2=>H2O+OH 1.02E+13 0 1800 OH+H2O=>H+H2O2 2.40E+14 0 40500 ! 29 H2O+HO2=>OH+H2O2 2.80E+13 0 16500 OH+H2O2=>H2O+HO2 4.46E+12 0 477 ! 30 H2O+O2=>O+H2O2 3.40E+10 0.52 44800 O+H2O2=>H2O+O2 8.40E+11 0 2130 ! 31 H2O2+O=>OH+HO2 1.08E+12 0 2000 ! 32 OH*+H2=>H2O+H 1.00E+14 0 276 ! 33 OH*+AR=>OH+AR 2.90E+09 0.5 0 OH*+O2=>OH+O2 2.90E+11 0.5 0 OH*+H2=>OH+H2 2.90E+11 0.5 0 OH*+H2O=>OH+H2O 2.90E+13 0.5 0 ! 34 Radiative Quenching OH*=>OH 1.40E+06 0 0 ! 35 H2+HO2=>H2O+OH* 4.80E+19 -1.7 19000 ! 36 O+H+AR=>OH*+AR 3.00E+18 -1 0 O+H+O2=>OH*+O2 3.00E+18 -1 0 O+H+H2=>OH*+H2 3.00E+18 -1 0 O+H+OH=>OH*+OH 1.50E+19 -1 0 ! 37 O*+H+AR=>OH*+AR 1.50E+18 -1 0 O*+H+O2=>OH*+O2 4.77E+18 -1 0 O*+H+H2=>OH*+H2 4.77E+18 -1 0 ! 38 OH*+O2=>O3+H 2.30E+12 0.5 0 ! 39 OH*+O2=>HO2+O 1.20E+12 0.5 0 ! 40 OH*+H2O=>H2O2+H 7.50E+12 0 276 ! 41 O2*+M=>O+O+M 2.60E+18 0 48188 ! 42 O3+M=>O2*+O+M 1.30E+14 0 11400 O2*+O+M=>O3+M 6.90E+12 0 -1050 ! 43 HO2+M=>O2*+H+M 6.90E+14 0 23000 O2*+H+M=>HO2+M 1.50E+15 0 -500 ! 44 O2*+AR=>O2+AR 5.00E+03 0 0 O2*+H2=>O2+H2 2.70E+06 0 0 O2*+O2=>O2+O2 1.00E+06 0 0 O2*+O=>O2+O 4.20E+08 0 0 O2*+H=>O2+H 4.20E+08 0 0 O2*+OH=>O2+OH 3.40E+06 0 0 O2*+H2O=>O2+H2O 3.40E+06 0 0 O2*+HO2=>O2+HO2 3.40E+06 0 0 O2*+H2O2=>O2+H2O2 3.40E+06 0 0 ! 45 H+HO2=>O2*+H2 4.80E+07 1.67 3162 ! 46 O*+O2*=>O+O2 6.03E+12 0 0 ! 47 O2*+O3=>O2+O2+O 3.13E+13 0 2840 ! 48 O2*+H2=>H2O+O* 3.50E+13 0 20000 ! 49 O2*+O2=>O3+O 1.20E+13 0 39604 ! 50 O2*+H=>OH+O 1.10E+14 0 3188 OH+O=>O2*+H 5.80E+12 0 6224 ! 51 O2*+H2=>OH+OH 1.70E+15 0 17000 ! 52 O2*+OH=>H+O3 4.40E+07 1.44 27225 ! 53 O2*+OH=>O+HO2 1.30E+13 0 17000 ! 54 O3+OH=>HO2+O2* 4.80E+11 0 1000 ! 55 O3+HO2=>OH+O2+O2* 1.00E+10 0 1000 ! 56 HO2+HO2=>H2O2+O2* 9.00E+12 0 500 ! 57 O2+O*=>O2*+O 1.20E+13 0 0 ! 58 O*+H2=>OH+H 8.70E+13 0 -14 ! 59 HO2+H=>H2O+O* 1.70E+12 0.46 678 ! 60 O*+AR=>O+AR 3.00E+11 0 0 O*+O2=>O+O2 1.93E+13 0 67 O*+O=>O+O 3.00E+12 0 0 ! 61 O*+H2O=>OH+OH 1.30E+14 0 0 ! 62 O*+O3=>O+O+O2 7.90E+13 0 0 END