ELEMENTS H O C N AR HE S END SPECIES H2 CH4 O2 H2O CO CO2 C H CH CH3 O OH HO2 N2 AR N NH NO NO2 S SH H2S SO SO2 SO3 HSO2 HOSO HOSO2 SN S2 CS COS HSNO HSO HOS HSOH H2SO HOSHO HS2 H2S2 SO2* END THERMO ALL 300.000 1000.000 5000.000 H2 H 2 0 0 0G 300.00 5000.00 1000.00 0 1 2.99142300E+00 7.00064400E-04-5.63382900E-08-9.23157800E-12 1.58275200E-15 2 -8.35034000E+02-1.35511000E+00 3.29812400E+00 8.24944200E-04-8.14301500E-07 3 -9.47543400E-11 4.13487200E-13-1.01252100E+03-3.29409400E+00 4 CH4 H 4C 1 0 0G 300.00 5000.00 1000.00 0 1 1.68347900E+00 1.02372400E-02-3.87512900E-06 6.78558500E-10-4.50342300E-14 2 -1.00807900E+04 9.62339500E+00 7.78741500E-01 1.74766800E-02-2.78340900E-05 3 3.04970800E-08-1.22393100E-11-9.82522900E+03 1.37221900E+01 4 O2 O 2 0 0 0G 300.00 5000.00 1000.00 0 1 3.69757800E+00 6.13519700E-04-1.25884200E-07 1.77528100E-11-1.13643500E-15 2 -1.23393000E+03 3.18916600E+00 3.21293600E+00 1.12748600E-03-5.75615000E-07 3 1.31387700E-09-8.76855400E-13-1.00524900E+03 6.03473800E+00 4 H2O H 2O 1 0 0G 300.00 5000.00 1000.00 0 1 2.67214600E+00 3.05629300E-03-8.73026000E-07 1.20099600E-10-6.39161800E-15 2 -2.98992100E+04 6.86281700E+00 3.38684200E+00 3.47498200E-03-6.35469600E-06 3 6.96858100E-09-2.50658800E-12-3.02081100E+04 2.59023300E+00 4 CO O 1C 1 0 0G 300.00 5000.00 1000.00 0 1 3.02507800E+00 1.44268900E-03-5.63082800E-07 1.01858100E-10-6.91095200E-15 2 -1.42683500E+04 6.10821800E+00 3.26245200E+00 1.51194100E-03-3.88175500E-06 3 5.58194400E-09-2.47495100E-12-1.43105400E+04 4.84889700E+00 4 CO2 O 2C 1 0 0G 300.00 5000.00 1000.00 0 1 4.45362300E+00 3.14016900E-03-1.27841100E-06 2.39399700E-10-1.66903300E-14 2 -4.89669600E+04-9.55395900E-01 2.27572500E+00 9.92207200E-03-1.04091100E-05 3 6.86668700E-09-2.11728000E-12-4.83731400E+04 1.01884900E+01 4 C C 1 0 0 0G 300.00 5000.00 1000.00 0 1 2.60208700E+00-1.78708100E-04 9.08704100E-08-1.14993300E-11 3.31084400E-16 2 8.54215400E+04 4.19517700E+00 2.49858500E+00 8.08577700E-05-2.69769700E-07 3 3.04072900E-10-1.10665200E-13 8.54587800E+04 4.75345900E+00 4 H H 1 0 0 0G 300.00 5000.00 1000.00 0 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.54716300E+04-4.60117600E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.54716300E+04-4.60117600E-01 4 CH H 1C 1 0 0G 300.00 5000.00 1000.00 0 1 2.19622300E+00 2.34038100E-03-7.05820100E-07 9.00758200E-11-3.85504000E-15 2 7.08672300E+04 9.17837300E+00 3.20020200E+00 2.07287600E-03-5.13443100E-06 3 5.73389000E-09-1.95553300E-12 7.04525900E+04 3.33158800E+00 4 CH3 H 3C 1 0 0G 300.00 5000.00 1000.00 0 1 2.84405200E+00 6.13797400E-03-2.23034500E-06 3.78516100E-10-2.45215900E-14 2 1.64378100E+04 5.45269700E+00 2.43044300E+00 1.11241000E-02-1.68022000E-05 3 1.62182900E-08-5.86495300E-12 1.64237800E+04 6.78979400E+00 4 O O 1 0 0 0G 300.00 5000.00 1000.00 0 1 2.54206000E+00-2.75506200E-05-3.10280300E-09 4.55106700E-12-4.36805200E-16 2 2.92308000E+04 4.92030800E+00 2.94642900E+00-1.63816600E-03 2.42103200E-06 3 -1.60284300E-09 3.89069600E-13 2.91476400E+04 2.96399500E+00 4 OH H 1O 1 0 0G 300.00 5000.00 1000.00 0 1 2.88273000E+00 1.01397400E-03-2.27687700E-07 2.17468400E-11-5.12630500E-16 2 3.88688800E+03 5.59571200E+00 3.63726600E+00 1.85091000E-04-1.67616500E-06 3 2.38720300E-09-8.43144200E-13 3.60678200E+03 1.35886000E+00 4 HO2 H 1O 2 0 0G 300.00 5000.00 1000.00 0 1 4.07219100E+00 2.13129600E-03-5.30814500E-07 6.11226900E-11-2.84116500E-15 2 -1.57972700E+02 3.47602900E+00 2.97996300E+00 4.99669700E-03-3.79099700E-06 3 2.35419200E-09-8.08902400E-13 1.76227400E+02 9.22272400E+00 4 N2 N 2 0 0 0G 300.00 5000.00 1000.00 0 1 2.92664000E+00 1.48797700E-03-5.68476100E-07 1.00970400E-10-6.75335100E-15 2 -9.22797700E+02 5.98052800E+00 3.29867700E+00 1.40824000E-03-3.96322200E-06 3 5.64151500E-09-2.44485500E-12-1.02090000E+03 3.95037200E+00 4 AR AR 1 0 0 0G 300.00 5000.00 1000.00 0 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 4.36600100E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.36600100E+00 4 N N 1 0 0 0G 300.00 5000.00 1000.00 0 1 2.45026800E+00 1.06614600E-04-7.46533700E-08 1.87965200E-11-1.02598400E-15 2 5.61160400E+04 4.44875800E+00 2.50307100E+00-2.18001800E-05 5.42052900E-08 3 -5.64756000E-11 2.09990400E-14 5.60989000E+04 4.16756600E+00 4 NH H 1N 1 0 0G 300.00 5000.00 1000.00 0 1 2.76024900E+00 1.37534600E-03-4.45191400E-07 7.69279200E-11-5.01759200E-15 2 4.20782800E+04 5.85719900E+00 3.33975800E+00 1.25300900E-03-3.49164600E-06 3 4.21881200E-09-1.55761800E-12 4.18504700E+04 2.50718100E+00 4 NO O 1N 1 0 0G 300.00 5000.00 1000.00 0 1 3.24543500E+00 1.26913800E-03-5.01589000E-07 9.16928300E-11-6.27541900E-15 2 9.80084000E+03 6.41729400E+00 3.37654200E+00 1.25306300E-03-3.30275100E-06 3 5.21781000E-09-2.44626300E-12 9.81796100E+03 5.82959000E+00 4 NO2 O 2N 1 0 0G 300.00 5000.00 1000.00 0 1 4.68285900E+00 2.46242900E-03-1.04225900E-06 1.97690200E-10-1.39171700E-14 2 2.26129200E+03 9.88598500E-01 2.67060000E+00 7.83850100E-03-8.06386500E-06 3 6.16171500E-09-2.32015000E-12 2.89629100E+03 1.16120700E+01 4 S S 1 0 0 0G 300.00 5000.00 1000.00 0 1 2.90214800E+00-5.48454600E-04 2.76457600E-07-5.01711500E-11 3.15068500E-15 2 3.24942300E+04 3.83847100E+00 3.18732900E+00-1.59577600E-03 2.00553100E-06 3 -1.50708100E-09 4.93128200E-13 3.24225900E+04 2.41444100E+00 4 SH H 1S 1 0 0G 300.00 5000.00 1000.00 0 1 3.05381000E+00 1.25888400E-03-4.24916900E-07 6.92959100E-11-4.28169100E-15 2 1.58822500E+04 5.97355100E+00 4.13332700E+00-3.78789300E-04-2.77785400E-06 3 5.37011200E-09-2.39400600E-12 1.55586200E+04 1.61153500E-01 4 H2S H 2S 1 0 0G 300.00 5000.00 1000.00 0 1 2.88314700E+00 3.82783500E-03-1.42339800E-06 2.49799900E-10-1.66027300E-14 2 -3.48074300E+03 7.25816200E+00 3.07102900E+00 5.57826100E-03-1.03096700E-05 3 1.20195300E-08-4.83837000E-12-3.55982600E+03 5.93522600E+00 4 SO O 1S 1 0 0G 300.00 5000.00 1000.00 0 1 4.02107800E+00 2.58485600E-04 8.94814200E-08-3.58014500E-11 3.22843000E-15 2 -7.11962000E+02 3.45252300E+00 3.08040100E+00 1.80310600E-03 6.70502200E-07 3 -2.06900500E-09 8.51465700E-13-3.98616300E+02 8.58102800E+00 4 SO2 O 2S 1 0 0G 300.00 5000.00 1000.00 0 1 5.25449800E+00 1.97854500E-03-8.20422600E-07 1.57638300E-10-1.12045100E-14 2 -3.75688600E+04-1.14605600E+00 2.91143900E+00 8.10302200E-03-6.90671000E-06 3 3.32901600E-09-8.77712100E-13-3.68788200E+04 1.11174000E+01 4 SO3 O 3S 1 0 0G 300.00 5000.00 1000.00 0 1 7.05066800E+00 3.24656000E-03-1.40889700E-06 2.72153500E-10-1.94236500E-14 2 -5.02066800E+04-1.10644300E+01 2.57528300E+00 1.51509200E-02-1.22987200E-05 3 4.24025700E-09-5.26681200E-13-4.89441100E+04 1.21951200E+01 4 HSO2 H 1O 2S 1 0G 300.00 1500.00 1500.00 0 1 1.56273740E+00 2.06913890E-02-2.31120730E-05 1.26702030E-08-2.72741760E-12 2 -1.82148240E+04 1.75568200E+01 1.56273740E+00 2.06913890E-02-2.31120730E-05 3 1.26702030E-08-2.72741760E-12-1.82148240E+04 1.75568200E+01 4 HOSO H 1O 2S 1 0G 300.00 1500.00 1500.00 0 1 1.61846970E+00 2.11640610E-02-2.66904820E-05 1.62722160E-08-3.77790050E-12 2 -3.02556410E+04 1.80429370E+01 1.61846970E+00 2.11640610E-02-2.66904820E-05 3 1.62722160E-08-3.77790050E-12-3.02556410E+04 1.80429370E+01 4 HOSO2 H 1O 3S 1 0G 300.00 1500.00 1500.00 0 1 2.43584740E+00 2.99919410E-02-4.06508710E-05 2.60476030E-08-6.27785460E-12 2 -4.88032510E+04 1.43640720E+01 2.43584740E+00 2.99919410E-02-4.06508710E-05 3 2.60476030E-08-6.27785460E-12-4.88032510E+04 1.43640720E+01 4 SN N 1S 1 0 0G 300.00 5000.00 1000.00 0 1 3.88828700E+00 6.77842700E-04-2.72530900E-07 5.13592700E-11-3.59383600E-15 2 3.04449600E+04 4.19429100E+00 3.40734600E+00 1.79788700E-03-2.01897000E-06 3 2.10785700E-09-9.52759200E-13 3.06237300E+04 6.82148100E+00 4 S2 S 2 0 0 0G 300.00 5000.00 1000.00 0 1 3.90444300E+00 6.92573300E-04-1.23309700E-07 8.78380900E-13 1.37466200E-15 2 1.42569300E+04 4.95683400E+00 3.15767300E+00 3.09948000E-03-1.56074600E-06 3 -1.35789100E-09 1.13744400E-12 1.43918700E+04 8.59606200E+00 4 CS C 1S 1 0 0G 300.00 5000.00 1000.00 0 1 3.73743100E+00 8.18045100E-04-3.17891800E-07 5.35680100E-11-2.88619500E-15 2 3.24772500E+04 3.57655700E+00 2.93862300E+00 2.72435200E-03-2.39770700E-06 3 1.68950100E-09-6.66505000E-13 3.27399200E+04 7.84872000E+00 4 COS O 1C 1S 1 0G 300.00 5000.00 1000.00 0 1 5.19192500E+00 2.50612300E-03-1.02439600E-06 1.94391400E-10-1.37080000E-14 2 -1.84621000E+04-2.82575500E+00 2.85853100E+00 9.51545800E-03-8.88491500E-06 3 4.22099400E-09-8.55734000E-13-1.78514500E+04 9.08198900E+00 4 HSNO H 1O 1N 1S 1G 300.00 5000.00 1000.00 0 1 2.90214800E+00-5.48454600E-04 2.76457600E-07-5.01711400E-11 3.15068400E-15 2 3.24942300E+04 3.83847100E+00 3.18732900E+00-1.59577630E-03 2.00553100E-06 3 -1.50708140E-09 4.93128200E-13 3.24225900E+04 2.41444100E+00 4 HSO H 1O 1S 1 0G 300.00 1500.00 1500.00 0 1 2.58075930E+00 7.99109020E-03-5.15359720E-06 7.42028010E-10 2.44456910E-13 2 -3.79766780E+03 1.22267030E+01 2.58075930E+00 7.99109020E-03-5.15359720E-06 3 7.42028010E-10 2.44456910E-13-3.79766780E+03 1.22267030E+01 4 HOS H 1O 1S 1 0G 300.00 1500.00 1500.00 0 1 2.63736730E+00 7.89119090E-03-8.11726030E-06 4.24833820E-09-8.57901160E-13 2 -1.07268870E+03 1.17096820E+01 2.63736730E+00 7.89119090E-03-8.11726030E-06 3 4.24833820E-09-8.57901160E-13-1.07268870E+03 1.17096820E+01 4 HSOH H 2O 1S 1 0G 300.00 1500.00 1500.00 0 1 2.56764410E+00 1.13805210E-02-5.86673240E-06-5.94700410E-10 8.74383290E-13 2 -1.55712560E+04 1.17663990E+01 2.56764410E+00 1.13805210E-02-5.86673240E-06 3 -5.94700410E-10 8.74383290E-13-1.55712560E+04 1.17663990E+01 4 H2SO H 2O 1S 1 0G 300.00 1500.00 1500.00 0 1 1.95805190E+00 9.72652010E-03 6.84131700E-07-6.23437200E-09 2.41665770E-12 2 -6.67708890E+03 1.47834510E+01 1.95805190E+00 9.72652010E-03 6.84131700E-07 3 -6.23437200E-09 2.41665770E-12-6.67708890E+03 1.47834510E+01 4 HOSHO H 2O 2S 1 0G 300.00 1500.00 1500.00 0 1 1.19038220E+00 2.56447350E-02-2.66228420E-05 1.34796650E-08-2.64746290E-12 2 -3.37448860E+04 1.90954940E+01 1.19038220E+00 2.56447350E-02-2.66228420E-05 3 1.34796650E-08-2.64746290E-12-3.37448860E+04 1.90954940E+01 4 HS2 H 1S 2 0 0G 298.15 5000.00 2000.00 0 1 4.65522820E+00 2.92025310E-03-1.10109410E-06 1.88786970E-10-1.23180000E-14 2 1.64929000E+03 2.79875420E+00 4.02149950E+00 3.19619180E-03 2.15072700E-06 3 -4.86509430E-09 2.13918040E-12 1.89427960E+03 6.42130030E+00 4 H2S2 H 2S 2 0 0G 298.15 5000.00 2000.00 0 1 6.57317350E+00 2.56191390E-03-6.91093150E-07 9.42862420E-11-5.29072100E-15 2 -2.46777910E+02-7.29918400E+00 2.11285540E+00 2.13988280E-02-3.38938560E-05 3 2.84688010E-08-9.55763250E-12 6.79510550E+02 1.42059830E+01 4 SO2* O 2S 1 0 0G 300.00 5000.00 1000.00 0 1 5.25449800E+00 1.97854500E-03-8.20422600E-07 1.57638300E-10-1.12045100E-14 2 -8.30057800E+02-1.14605600E+00 2.91143900E+00 8.10302200E-03-6.90671000E-06 3 3.32901600E-09-8.77712100E-13-1.40017800E+02 1.11174000E+01 4 END REACTIONS MOLES KELVINS ! ! 1 H2S+M => S+H2+M 1.600E+24 -2.6130 44841.47 N2/1.5/ SO2/10/ H2O/10/ ! ! 2 R S+H2+M => H2S+M 1.386E+21 -1.8265 8189.13 N2/1.5/ SO2/10/ H2O/10/ ! ! 3 H2S+H => SH+H2 1.200E+07 2.1000 352.29 ! ! 4 R SH+H2 => H2S+H 4.432E+04 2.6874 6691.33 ! ! 5 H2S+O => SH+OH 7.500E+07 1.7500 1459.49 ! ! 6 R SH+OH => H2S+O 1.912E+05 2.2836 6918.24 ! ! 7 H2S+OH => SH+H2O 2.700E+12 0.0000 0.00 ! ! 8 R SH+H2O => H2S+OH 6.777E+11 0.2605 14375.98 ! ! 9 H2S+S => 2SH 8.300E+13 0.0000 3724.21 ! ! 10 R 2SH => H2S+S 3.898E+11 0.3648 551.03 ! ! 11 H2S+S => HS2+H 2.000E+13 0.0000 3724.21 ! ! 12 R HS2+H => H2S+S 4.144E+14 -0.4606 4628.56 ! ! 13 S+H2 => SH+H 1.400E+14 0.0000 9713.14 ! ! 14 R SH+H => S+H2 1.780E+14 -0.2225 200.92 ! ! 15 SH+O => H+SO 1.000E+14 0.0000 0.00 ! ! 16 R H+SO => SH+O 1.049E+16 -0.3038 20063.32 ! ! 17 SH+OH => S+H2O 1.000E+13 0.0000 0.00 ! ! 18 R S+H2O => SH+OH 5.345E+14 -0.1043 17549.16 ! ! 19 SH+HO2 => HSO+OH 1.000E+12 0.0000 0.00 ! ! 20 R HSO+OH => SH+HO2 7.398E+13 -0.6045 16449.54 ! ! 21 SH+O2 => HSO+O 1.900E+13 0.0000 9021.14 ! ! 22 R HSO+O => SH+O2 3.352E+16 -1.0343 -724.86 ! ! 23 S+OH => H+SO 4.000E+13 0.0000 0.00 ! ! 24 R H+SO => S+OH 7.732E+15 -0.4726 11431.38 ! ! 25 S+O2 => SO+O 5.200E+06 1.8100 -603.93 ! ! 26 R SO+O => S+O2 2.608E+06 1.7420 2178.76 ! ! 27 2SH => S2+H2 1.000E+12 0.0000 0.00 ! ! 28 R S2+H2 => 2SH 2.013E+14 -0.1976 18131.50 ! ! 29 SH+S => S2+H 3.000E+13 0.0000 0.00 ! ! 30 R S2+H => SH+S 7.679E+15 -0.4201 8619.29 ! ! 31 S2+M => 2S+M 4.800E+13 0.0000 38751.89 ! ! 32 R 2S+M => S2+M 4.399E+10 0.6192 -12858.78 ! ! 33 S2+H+M => HS2+M 1.000E+16 0.0000 0.00 ! ! 34 R HS2+M => S2+H+M 7.347E+17 -0.6045 38449.63 ! ! 35 S2+O => SO+S 1.000E+13 0.0000 0.00 ! ! 36 R SO+S => S2+O 4.099E+12 0.1162 11444.03 ! ! 37 HS2+H => S2+H2 1.200E+07 2.1000 352.29 ! ! 38 R S2+H2 => HS2+H 5.475E+05 2.7279 14406.26 ! ! 39 HS2+O => S2+OH 7.500E+07 1.7500 1459.49 ! ! 40 R S2+OH => HS2+O 2.362E+06 2.3241 14633.18 ! ! 41 HS2+OH => S2+H2O 2.700E+12 0.0000 0.00 ! ! 42 R S2+H2O => HS2+OH 8.373E+12 0.3010 22090.91 ! ! 43 HS2+S => S2+SH 2.000E+13 0.0000 3724.21 ! ! 44 R S2+SH => HS2+S 1.160E+12 0.4054 8265.96 ! ! 45 HS2+H+M => H2S2+M 1.000E+16 0.0000 0.00 ! ! 46 R H2S2+M => HS2+H+M 4.463E+25 -2.4847 30543.59 ! ! 47 H2S2+H => HS2+H2 1.200E+07 2.1000 352.29 ! ! 48 R HS2+H2 => H2S2+H 9.012E-03 4.6081 22312.31 ! ! 49 H2S2+O => HS2+OH 7.500E+07 1.7500 1459.49 ! ! 50 R HS2+OH => H2S2+O 3.888E-02 4.2043 22539.22 ! ! 51 H2S2+OH => HS2+H2O 2.700E+12 0.0000 0.00 ! ! 52 R HS2+H2O => H2S2+OH 1.378E+05 2.1812 29996.95 ! ! 53 H2S2+S => HS2+SH 2.000E+13 0.0000 3724.21 ! ! 54 R HS2+SH => H2S2+S 1.910E+04 2.2856 16172.01 ! ! 55 SO3+H => HOSO+O 2.500E+05 2.9200 25314.55 ! ! 56 R HOSO+O => SO3+H 1.978E-04 4.6500 1118.36 ! ! 57 SO3+O => SO2+O2 2.000E+12 0.0000 10065.43 ! ! 58 R SO2+O2 => SO3+O 1.422E+08 0.7893 27951.73 ! ! 59 SO3+SO => 2SO2 1.000E+12 0.0000 5032.71 ! ! 60 R 2SO2 => SO3+SO 7.934E+09 0.3895 29279.50 ! ! 61 SO+O(+M) => SO2(+M) 3.200E+13 0.0000 0.00 N2/1.5/ SO2/10/ H2O/10/ LOW / 1.200E+21 -1.54 0.00 / TROE / 0.5500 1.0e-30 1.0e+30 / ! ! 62 R SO2(+M) => SO+O(+M) 3.186E+18 -0.8348 66632.51 N2/1.5/ SO2/10/ H2O/10/ LOW / 1.195E+26 -2.37 66632.51 / TROE / 0.5500 1.0e-30 1.0e+30 / ! ! 63 SO2+O(+M) => SO3(+M) 9.200E+10 0.0000 1199.80 N2/1.3/ SO2/10/ H2O/10/ LOW / 4.000E+28 -4.00 2642.17 / ! ! 64 R SO3(+M) => SO2+O(+M) 1.154E+18 -1.2242 43585.52 N2/1.3/ SO2/10/ H2O/10/ LOW / 5.019E+35 -5.22 45027.89 / ! ! 65 SO2+OH(+M) => HOSO2(+M) 7.200E+12 0.0000 359.84 N2/1.5/ SO2/10/ H2O/10/ LOW / 4.500E+25 -3.30 359.84 / TROE / 0.7000 1.0e-30 1.0e+30 / ! ! 66 R HOSO2(+M) => SO2+OH(+M) 1.575E+13 0.1711 13734.82 N2/1.5/ SO2/10/ H2O/10/ LOW / 9.844E+25 -3.13 13734.82 / TROE / 0.7000 1.0e-30 1.0e+30 / ! ! 67 SO2+OH => HOSO+O 3.900E+08 1.8900 38248.62 ! ! 68 R HOSO+O => SO2+OH 1.674E+06 2.4261 4814.83 ! ! 69 SO2+OH => SO3+H 4.900E+02 2.6900 12003.02 ! ! 70 R SO3+H => SO2+OH 2.657E+09 1.4961 2765.42 ! ! 71 SO2+CO => SO+CO2 2.700E+12 0.0000 24308.00 ! ! 72 R SO+CO2 => SO2+CO 3.614E+14 -0.4809 22429.27 ! ! 73 SO2*+M => SO2+M 1.300E+14 0.0000 1811.78 ! ! 74 R SO2+M => SO2*+M 1.300E+14 0.0000 38550.58 ! ! 75 SO2*+SO2 => SO3+SO 2.600E+12 0.0000 1222.95 ! ! 76 R SO3+SO => SO2*+SO2 3.277E+14 -0.3895 13714.96 ! ! 77 SO+M => S+O+M 4.000E+14 0.0000 53850.03 ! ! 78 R S+O+M => SO+M 8.943E+11 0.5029 -9204.67 ! ! 79 SO+H+M => HSO+M 5.000E+15 0.0000 0.00 N2/1.5/ SO2/10/ H2O/10/ ! ! 80 R HSO+M => SO+H+M 7.497E+19 -1.1654 30462.70 N2/1.5/ SO2/10/ H2O/10/ ! ! 81 SO+OH(+M) => HOSO(+M) 1.600E+12 0.5000 -201.31 N2/1.5/ SO2/10/ H2O/10/ LOW / 9.500E+27 -3.48 488.17 / ! ! 82 R HOSO(+M) => SO+OH(+M) 6.835E+14 0.2014 32997.41 N2/1.5/ SO2/10/ H2O/10/ LOW / 4.058E+30 -3.78 33686.89 / ! ! 83 SO+OH => SO2+H 1.077E+17 -1.3500 0.00 ! ! 84 R SO2+H => SO+OH 4.633E+21 -2.1544 15009.19 ! ! 85 SO+O2 => SO2+O 7.600E+03 2.3700 1494.72 ! ! 86 R SO2+O => SO+O2 8.483E+05 1.9701 7855.21 ! ! 87 2SO => SO2+S 2.000E+12 0.0000 2013.09 ! ! 88 R SO2+S => 2SO 4.452E+14 -0.3318 5590.90 ! ! 89 HSO+H => HSOH 2.500E+20 -3.1400 463.01 ! ! 90 R HSOH => HSO+H 4.433E+25 -4.3515 39389.44 ! ! 91 HSO+H => SH+OH 4.900E+19 -1.8600 785.10 ! ! 92 R SH+OH => HSO+H 7.207E+13 -0.4211 1882.40 ! ! 93 HSO+H => S+H2O 1.600E+09 1.3700 -171.11 ! ! 94 R S+H2O => HSO+H 1.258E+05 2.7045 18475.35 ! ! 95 HSO+H => H2SO 1.800E+17 -2.4700 25.16 ! ! 96 R H2SO => HSO+H 1.008E+27 -4.8242 31811.40 ! ! 97 HSO+H => H2S+O 1.100E+06 1.0300 5234.02 ! ! 98 R H2S+O => HSO+H 6.346E+02 1.9353 872.57 ! ! 99 HSO+H => SO+H2 1.000E+13 0.0000 0.00 ! ! 100 R SO+H2 => HSO+H 2.236E+09 1.1888 22040.91 ! ! 101 HSO+O+M => HSO2+M 1.100E+19 -1.7300 -25.16 ! ! 102 R HSO2+M => HSO+O+M 1.744E+21 -1.7994 43118.73 ! ! 103 HSO+O => SO2+H 4.500E+14 -0.4000 0.00 ! ! 104 R SO2+H => HSO+O 2.988E+15 -0.0694 36169.81 ! ! 105 HSO+O+M => HOSO+M 6.900E+19 -1.6100 800.20 ! ! 106 R HOSO+M => HSO+O+M 4.549E+18 -0.7736 55159.54 ! ! 107 HSO+O => O+HOS 4.800E+08 1.0200 2687.47 ! ! 108 R O+HOS => HSO+O 1.831E+05 2.0984 -949.56 ! ! 109 HSO+O => OH+SO 1.400E+13 0.1500 150.98 ! ! 110 R OH+SO => HSO+O 2.161E+09 1.2850 21311.60 ! ! 111 HSO+OH => HOSHO 5.200E+28 -5.4400 1595.37 ! ! 112 R HOSHO => HSO+OH 5.616E+35 -6.7103 35887.71 ! ! 113 HSO+OH => HOSO+H 5.300E+07 1.5700 1887.27 ! ! 114 R HOSO+H => HSO+OH 1.510E+06 2.4368 4623.30 ! ! 115 HSO+OH => SO+H2O 1.700E+09 1.0300 236.54 ! ! 116 R SO+H2O => HSO+OH 2.583E+07 1.8920 30314.38 ! ! 117 HSO+O2 => SO2+OH 1.000E+12 0.0000 5032.71 ! ! 118 R SO2+OH => HSO+O2 1.722E+10 0.7352 32553.82 ! ! 119 HSOH => SH+OH 2.800E+39 -8.7500 37846.00 ! ! 120 R SH+OH => HSOH 2.323E+28 -6.0997 16.87 ! ! 121 HSOH => S+H2O 5.800E+29 -5.6000 27428.28 ! ! 122 R S+H2O => HSOH 2.572E+20 -3.0540 7148.31 ! ! 123 HSOH => H2S+O 9.800E+16 -3.4000 43532.97 ! ! 124 R H2S+O => HSOH 3.189E+08 -1.2833 245.09 ! ! 125 H2SO => H2S+O 4.900E+28 -6.6600 36084.55 ! ! 126 R H2S+O => H2SO 5.049E+15 -3.4005 -63.14 ! ! 127 HOSO(+M) => H+SO2(+M) 1.700E+10 0.8000 23620.03 N2/1/ SO2/10/ H2O/10/ LOW / 1.500E+31 -4.53 24749.88 / TROE / 0.3000 1.0e-30 1.0e+30 / ! ! 128 R H+SO2(+M) => HOSO(+M) 1.712E+12 0.2942 5430.50 N2/1/ SO2/10/ H2O/10/ LOW / 1.511E+33 -5.04 6560.35 / TROE / 0.3000 1.0e-30 1.0e+30 / ! ! 129 HOSO(+M) => HSO2(+M) 1.000E+09 1.0300 25163.56 N2/1/ SO2/10/ H2O/10/ LOW / 1.700E+35 -5.64 27881.23 / TROE / 0.4000 1.0e-30 1.0e+30 / ! ! 130 R HSO2(+M) => HOSO(+M) 2.406E+12 0.1242 13948.11 N2/1/ SO2/10/ H2O/10/ LOW / 4.089E+38 -6.55 16665.78 / TROE / 0.4000 1.0e-30 1.0e+30 / ! ! 131 HOSO+M => O+HOS+M 2.500E+30 -4.8000 59889.28 ! ! 132 R O+HOS+M => HOSO+M 1.446E+28 -4.5580 1892.90 ! ! 133 HOSO+H => SO2+H2 3.000E+13 0.0000 0.00 ! ! 134 R SO2+H2 => HOSO+H 1.013E+16 -0.4824 34314.07 ! ! 135 HOSO+H => SO+H2O 6.300E-10 6.2900 -956.22 ! ! 136 R SO+H2O => HOSO+H 3.360E-10 6.2852 26385.60 ! ! 137 HOSO+OH => SO2+H2O 1.000E+12 0.0000 0.00 ! ! 138 R SO2+H2O => HOSO+OH 2.295E+16 -0.8092 42351.01 ! ! 139 HOSO+O2 => HO2+SO2 1.000E+12 0.0000 503.27 ! ! 140 R HO2+SO2 => HOSO+O2 5.557E+15 -0.9660 7741.51 ! ! 141 HSO2+H => SO2+H2 3.000E+13 0.0000 0.00 ! ! 142 R SO2+H2 => HSO2+H 4.210E+12 0.4235 45529.53 ! ! 143 HSO2+OH => SO2+H2O 1.000E+13 0.0000 0.00 ! ! 144 R SO2+H2O => HSO2+OH 9.539E+13 0.0966 53566.46 ! ! 145 HSO2+O2 => HO2+SO2 1.000E+13 0.0000 0.00 ! ! 146 R HO2+SO2 => HSO2+O2 2.310E+13 -0.0602 18453.69 ! ! 147 HSO2(+M) => H+SO2(+M) 2.000E+11 0.9000 9240.06 N2/1/ SO2/10/ H2O/10/ LOW / 3.500E+25 -3.29 9612.48 / ! ! 148 R H+SO2(+M) => HSO2(+M) 8.373E+09 1.3001 2265.98 N2/1/ SO2/10/ H2O/10/ LOW / 1.465E+24 -2.89 2638.40 / ! ! 149 HOSO2 => HOSO+O 5.400E+18 -2.3400 53497.74 ! ! 150 R HOSO+O => HOSO2 1.059E+16 -1.9750 6688.98 ! ! 151 HOSO2 => SO3+H 1.400E+18 -2.9100 27629.59 ! ! 152 R SO3+H => HOSO2 3.470E+24 -4.2750 5017.01 ! ! 153 HOSO2+H => SO2+H2O 1.000E+12 0.0000 0.00 ! ! 154 R SO2+H2O => HOSO2+H 1.041E+14 -0.4746 47165.56 ! ! 155 HOSO2+O => SO3+OH 5.000E+12 0.0000 0.00 ! ! 156 R SO3+OH => HOSO2+O 2.868E+19 -1.3954 29010.74 ! ! 157 HOSO2+OH => SO3+H2O 1.000E+12 0.0000 0.00 ! ! 158 R SO3+H2O => HOSO2+OH 5.647E+20 -1.6685 37927.97 ! ! 159 HOSO2+O2 => HO2+SO3 7.800E+11 0.0000 330.15 ! ! 160 R HO2+SO3 => HOSO2+O2 1.067E+20 -1.8252 3145.35 ! ! 161 HOSHO => HOSO+H 6.400E+30 -5.8900 37141.42 ! ! 162 R HOSO+H => HOSHO 1.688E+22 -3.7529 5585.11 ! ! 163 HOSHO => SO+H2O 1.200E+24 -3.5900 29944.64 ! ! 164 R SO+H2O => HOSHO 1.688E+15 -1.4577 25730.15 ! ! 165 HOSHO+H => HOSO+H2 1.000E+12 0.0000 0.00 ! ! 166 R HOSO+H2 => HOSHO+H 8.843E+03 2.1605 20947.30 ! ! 167 HOSHO+O => HOSO+OH 5.000E+12 0.0000 0.00 ! ! 168 R HOSO+OH => HOSHO+O 3.052E+04 2.1067 20067.01 ! ! 169 HOSHO+OH => HOSO+H2O 1.000E+12 0.0000 0.00 ! ! 170 R HOSO+H2O => HOSHO+OH 6.011E+05 1.8336 28984.23 ! ! 171 C+SO2 => CO+SO 4.156E+13 0.0000 0.00 ! ! 172 R CO+SO => C+SO2 1.804E+11 0.5757 63081.29 ! ! 173 HOSO2+H => SO3+H2 1.000E+12 0.0000 0.00 ! ! 174 R SO3+H2 => HOSO2+H 8.309E+18 -1.3416 29891.03 ! ! 175 S+CH4 => SH+CH3 6.000E+14 0.0000 12078.00 ! ! 176 R SH+CH3 => S+CH4 2.613E+10 0.6092 1051.54 ! ! 177 H2S+CH3 => CH4+SH 1.800E+11 0.0000 1177.00 ! ! 178 R CH4+SH => H2S+CH3 1.941E+13 -0.2443 9030.28 ! ! 179 S+OH => SH+O 6.300E+11 0.5000 4030.00 ! ! 180 R SH+O => S+OH 1.161E+12 0.3313 -4601.93 ! ! 181 C+H2S => CH+SH 1.200E+14 0.0000 4450.00 ! ! 182 R CH+SH => C+H2S 9.096E+12 0.0628 -192.84 ! ! 183 O+COS => CO+SO 1.930E+13 0.0000 2329.00 ! ! 184 R CO+SO => O+COS 1.047E+09 0.9695 28048.55 ! ! 185 O+CS => CO+S 1.626E+14 0.0000 759.94 ! ! 186 R CO+S => O+CS 1.611E+14 0.1134 44441.60 ! ! 187 COS+M => CO+S+M 1.430E+14 0.0000 30700.00 ! ! 188 R CO+S+M => COS+M 1.734E+07 1.4725 -6635.15 ! ! 189 O+COS => CO2+S 5.000E+13 0.0000 5530.45 ! ! 190 R CO2+S => O+COS 8.078E+13 0.1568 32949.08 ! ! 191 SH+O2 => SO+OH 1.000E+12 0.0000 5032.00 ! ! 192 R SO+OH => SH+O2 2.722E+11 0.1007 16446.62 ! ! 193 CH+SO => CO+SH 1.000E+13 0.0000 0.00 ! ! 194 R CO+SH => CH+SO 5.986E+11 0.5460 68128.76 ! ! 195 SO3+S => SO+SO2 5.120E+11 0.0000 0.00 ! ! 196 R SO+SO2 => SO3+S 1.825E+07 0.7213 20668.98 ! ! 197 SH+NO => SN+OH 1.000E+13 0.0000 8901.00 ! ! 198 R SN+OH => SH+NO 4.943E+12 0.0870 -19.39 ! ! 199 S+NO => SN+O 1.000E+12 0.5000 17500.00 ! ! 200 R SN+O => S+NO 9.107E+11 0.4182 -52.33 ! ! 201 SH+NH => SN+H2 1.000E+14 0.0000 0.00 ! ! 202 R SN+H2 => SH+NH 2.155E+15 -0.0576 27780.61 ! ! 203 N+SO => NO+S 6.310E+11 0.5000 1010.00 ! ! 204 R NO+S => N+SO 1.105E+11 0.6726 14153.32 ! ! 205 N+SH => SN+H 6.310E+11 0.5000 4030.00 ! ! 206 R SN+H => N+SH 1.056E+13 0.2870 19684.32 ! ! 207 SN+NO => N2+SO 1.807E+10 0.0000 0.00 ! ! 208 R N2+SO => SN+NO 2.292E+11 0.0044 42116.26 ! ! 209 SN+O2 => SO+NO 3.000E+08 0.0000 0.00 ! ! 210 R SO+NO => SN+O2 1.652E+08 0.0137 20335.01 ! ! 211 SN+NO2 => S+2NO 4.068E+15 -0.9805 0.00 ! ! 212 R S+2NO => SN+NO2 5.220E+10 -0.0579 -19736.48 ! ! 213 N+SN => N2+S 6.300E+11 0.5000 0.00 ! ! 214 R N2+S => N+SN 1.399E+12 0.6770 55259.59 ! ! 215 SO2+NO2 => NO+SO3 4.250E-19 8.9000 3797.00 ! ! 216 R NO+SO3 => SO2+NO2 6.231E-17 8.5165 8893.91 ! ! 217 SO+NO2 => SO2+NO 8.432E+12 0.0000 0.00 ! ! 218 R SO2+NO => SO+NO2 9.809E+12 0.0060 29343.70 ! ! 219 SN+O => SO+N 6.310E+11 0.5000 4030.00 ! ! 220 R SO+N => SN+O 3.957E+12 0.4092 8439.00 ! ! 221 S+NH => SH+N 1.000E+13 0.0000 0.00 ! ! 222 R SH+N => S+NH 1.638E+13 -0.0671 2614.07 ! ! 223 NH+SO => NO+SH 3.012E+13 0.0000 0.00 ! ! 224 R NO+SH => NH+SO 8.638E+12 0.1055 15757.39 ! ! 225 HSO+NO2 => HOSO+NO 5.800E+12 0.0000 0.00 ! ! 226 R HOSO+NO => HSO+NO2 4.468E+06 1.6772 17070.54 END !----------------------------------------------------! ! Reverse Arrhenius parameters of reactions ! ! denoted by "R" were calculated by program MECHMOD. ! ! Parameters A, n, and E were fitted at temperatures ! ! 1000.0 K, 1750.0 K, and 2500.0 K ! !----------------------------------------------------!