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