THERMO 300.000 1000.000 5000.000 CS2 C 1S 2 G 300.00 5000.00 1000.00 1 6.11484501E+00 1.48667711E-03-6.30541044E-07 1.19190960E-10-8.33110493E-15 2 1.20160394E+04-5.16702896E+00 2.90672105E+00 1.31973536E-02-1.81729333E-05 3 1.27908457E-08-3.64698925E-12 1.27743056E+04 1.07380077E+01 4 CS3 1212 C 1S 3N 0O 0G 0300.00 3000.000 1000.00 1 7.44998849E+00 4.09008516E-03-2.66836187E-06 7.91509758E-10-8.81304625E-14 2 2.92863391E+04-8.79780982E+00 3.22895232E+00 2.18033829E-02-3.04820379E-05 3 2.01631135E-08-5.13831964E-12 3.00890887E+04 1.13589615E+01 4 CS C 1S 1 G 0300.00 5000.00 1000.00 1 3.74415856E+00 8.13427072E-04-3.45531864E-07 6.53787086E-11-4.57269558E-15 2 3.24757758E+04 4.70214660E+00 3.36157703E+00-3.76320770E-04 5.65081421E-06 3 -7.03172915E-09 2.66638692E-12 3.26934598E+04 7.23318501E+00 4 O2 O 2 G 0300.00 5000.00 1000.00 1 3.43836417E+00 1.11211946E-03-4.64429276E-07 8.68830889E-11-6.02876430E-15 2 -1.14143850E+03 5.34763071E+00 3.79557410E+00-3.08214384E-03 9.95837568E-06 3 -9.80008189E-09 3.29196133E-12-1.06487091E+03 4.33267121E+00 4 O O 1 G 0300.00 5000.00 1000.00 1 2.50000000E+00-5.32787062E-13 3.11317222E-16-7.35583661E-20 6.04972798E-24 2 2.92000495E+04 3.00711876E+00 2.50000000E+00 1.14689508E-13-2.86392004E-16 3 3.04098063E-19-1.16167177E-22 2.92000495E+04 3.00711876E+00 4 S S 1 G 0300.00 5000.00 1000.00 1 2.50000000E+00-4.00821428E-14 2.37479301E-17-5.61554388E-21 4.58994068E-25 2 3.25684163E+04 4.04998635E+00 2.50000000E+00 1.22305291E-12-2.97887257E-15 3 3.06231527E-18-1.13027768E-21 3.25684163E+04 4.04998635E+00 4 SO O 1S 1 G 0300.00 5000.00 1000.00 1 3.90523882E+00 6.47215828E-04-2.76828343E-07 5.26177386E-11-3.69178708E-15 2 -6.78649939E+02 4.12072194E+00 3.03182256E+00 2.10029584E-03 5.97958438E-07 3 -2.72714615E-09 1.31981583E-12-3.94029746E+02 8.85823188E+00 4 OCS C 1O 1S 1 G 0300.00 5000.00 1000.00 1 5.03814987E+00 2.00738663E-03-8.26046199E-07 1.53038367E-10-1.05481420E-14 2 -1.83800436E+04 3.68393899E+00 3.07425091E+00 8.97964528E-03-1.15028143E-05 3 8.32791364E-09-2.52444024E-12-1.78861762E+04 1.35174251E+01 4 S2 S 2 G 0300.00 5000.00 1000.00 1 4.24591676E+00 2.81818930E-04-1.21958026E-07 2.33591426E-11-1.64761898E-15 2 1.41093529E+04 3.81990946E+00 2.70212632E+00 6.75810162E-03-1.09278245E-05 3 8.38224086E-09-2.48889243E-12 1.44243071E+04 1.12457379E+01 4 CO C 1O 1 G 0300.00 5000.00 1000.00 1 3.01115332E+00 1.45847993E-03-5.82590474E-07 1.05710298E-10-7.17739778E-15 2 -1.42493070E+04 7.34216960E+00 3.81093114E+00-2.34835729E-03 5.52600097E-06 3 -3.95773850E-09 9.50595184E-13-1.43585248E+04 3.68393630E+00 4 S2O S 2O 1 G 0300.00 5000.00 1000.00 1 ! ZHOHAY13 5.69256178E+00 1.42823665E-03-3.95223981E-07-9.64670639E-11 4.47355230E-14 2 -8.82970515E+03-1.14896126E+00 2.89887583E+00 1.15443527E-02-1.46502127E-05 3 9.19411666E-09-2.31495134E-12-8.19312607E+03 1.26535745E+01 4 SO2 BUR0302 J 6/61S 1O 2 G 300.000 5000.000 1000.00 1 5.24513640E+00 1.97042040E-03-8.03757690E-07 1.51499690E-10-1.05580040E-14 2 -3.75582270E+04-1.07404892E+00 3.26653380E+00 5.32379020E-03 6.84375520E-07 3 -5.28100470E-09 2.55904540E-12-3.69081480E+04 9.66465108E+00-3.57007867E+04 4 SO3 BUR0302 J 9/65S 1O 3 0 0G 300.000 5000.000 1000. 1 7.07573760E+00 3.17633870E-03-1.35357600E-06 2.56309120E-10-1.79360440E-14 2 -5.02113760E+04-1.11875176E+01 2.57803850E+00 1.45563350E-02-9.17641730E-06 3 -7.92030220E-10 1.97094730E-12-4.89317530E+04 1.22651384E+01-4.75978348E+04 4 OCS2 1210 C 1S 2N 0O 1G 0300.00 3000.000 1000.00 1 ! MC Lin, pw 6.47100147E+00 5.31400384E-03-3.33567524E-06 9.65540977E-10-1.05777415E-13 2 8.81198264E+02-4.89420879E+00 2.82159429E+00 2.13606383E-02-2.95791354E-05 3 1.99101868E-08-5.20419029E-12 1.53862942E+03 1.23498199E+01 4 N2 N 2 G 0200.00 6000.000 1000.00 1 2.95257637E+00 1.39690040E-03-4.92631603E-07 7.86010195E-11-4.60755204E-15 2 -9.23948688E+02 5.87188762E+00 3.53100528E+00-1.23660988E-04-5.02999433E-07 3 2.43530612E-09-1.40881235E-12-1.04697628E+03 2.96747038E+00 0.00000000E+00 4 SO(S) SO+deltaH H 0O 1S 1 0G 300.000 5000.000 1000.00 1 4.01428730E+00 2.70228170E-04 8.28966670E-08-3.43237410E-11 3.11214440E-15 2 !S298 = 50.89 cal/mol/K 1.07137380E+04 2.41770183E+00 3.14902330E+00 1.18393470E-03 2.57406860E-06 3 -4.44434190E-09 1.87351590E-12 1.10201820E+04 7.23784593E+00 6.02271219E+02 4 O(S) O 1 0 0 0g 300.00 5000.00 1000.00 1 2.50000000E+00-2.61800846E-13 1.52777683E-16-3.60341190E-20 2.95802425E-24 2 3.81526758E+04 3.00711876E+00 2.50000000E+00 1.79922049E-12-4.52712005E-15 3 4.79229404E-18-1.81487627E-21 3.81526758E+04 3.00711876E+00 4 O3 O 3 G 200.00 6000.00 1000.00 1 ㄐBURCAT 1.23302914E+01-1.19324783E-02 7.98741278E-06-1.77194552E-09 1.26075824E-13 2 1.26755831E+04-4.08823374E+01 3.40738221E+00 2.05379063E-03 1.38486052E-05 3 -2.23311542E-08 9.76073226E-12 1.58644979E+04 8.28247580E+00 1.70545228E+04 4 H2O L 5/89H 2O 1 0 0G 200.000 6000.000 1000. 1 0.26770389E+01 0.29731816E-02-0.77376889E-06 0.94433514E-10-0.42689991E-14 2 -0.29885894E+05 0.68825500E+01 0.41986352E+01-0.20364017E-02 0.65203416E-05 3 -0.54879269E-08 0.17719680E-11-0.30293726E+05-0.84900901E+00-0.29084817E+05 4 H2S g 4/01H 2.S 1. 0. 0.G 200.000 6000.000 1000. 1 2.97879430E+00 3.59760372E-03-1.22803151E-06 1.96833209E-10-1.16716162E-14 2 -3.51607638E+03 6.77921228E+00 4.12024455E+00-1.87907426E-03 8.21426650E-06 3 -7.06425730E-09 2.14234860E-12-3.68215173E+03 1.53174068E+00-2.47759639E+03 4 CO2 L 7/88C 1O 2 0 0G 200.000 6000.000 1000. 1 0.46365111E+01 0.27414569E-02-0.99589759E-06 0.16038666E-09-0.91619857E-14 2 -0.49024904E+05-0.19348955E+01 0.23568130E+01 0.89841299E-02-0.71220632E-05 3 0.24573008E-08-0.14288548E-12-0.48371971E+05 0.99009035E+01-0.47328105E+05 4 SSO2 1511 S 2O 2 G 298.000 3000.000 1000.00 1! pw PM 1511 6.64651780E+00 5.14810304E-03-3.24615551E-06 9.37855883E-10-1.02290424E-13 2 -2.36858126E+04-5.27910650E+00 2.91749466E+00 1.89316285E-02-2.22225931E-05 3 1.24562472E-08-2.69874647E-12-2.28833797E+04 1.29944163E+01 4! S J 9/82S 1. 0. 0. 0.G 200.000 6000.000 1000. 1 ! 66.19/40.11 2.87936498E+00-5.11050388E-04 2.53806719E-07-4.45455458E-11 2.66717362E-15 2 3.25013791E+04 3.98140647E+00 2.31725616E+00 4.78018342E-03-1.42082674E-05 3 1.56569538E-08-5.96588299E-12 3.25068976E+04 6.06242434E+00 3.33128471E+04 4 ! GBR 1509 ! SH H 1S 1 0 0G 300.00 5000.00 1000.00 1 ! 34.23 46.73 3.05381000E+00 1.25888400E-03-4.24916900E-07 6.92959100E-11-4.28169100E-15 2 1.63513273E+04 5.97355100E+00 4.13332700E+00-3.78789300E-04-2.77785400E-06 3 5.37011200E-09-2.39400600E-12 1.60276973E+04 1.61153500E-01 4 ! Zhou: R.C. Shiell, X.K. Hu, Q.J. Hu, J.W. Hepburn, J. Phys. Chem. A 104 (2000) 4339每4342. ! H2S g 4/01H 2.S 1. 0. 0.G 200.000 6000.000 1000. 1 ! -4.92 49.18 2.97879430E+00 3.59760372E-03-1.22803151E-06 1.96833209E-10-1.16716162E-14 2 -3.51607638E+03 6.77921228E+00 4.12024455E+00-1.87907426E-03 8.21426650E-06 3 -7.06425730E-09 2.14234860E-12-3.68215173E+03 1.53174068E+00-2.47759639E+03 4 ! GBR 1509 ! SO tpis89S 1.O 1. 0. 0.G 200.000 6000.000 1000. 1 ! 1.14 53.04 3.96894225E+00 3.77296831E-04 7.67102696E-09-1.37544433E-11 1.37139416E-15 2 -7.28571725E+02 3.73493087E+00 3.61859514E+00-2.32173768E-03 1.16462669E-05 3 -1.42092510E-08 5.60765370E-12-4.80621641E+02 6.36504115E+00 5.72529951E+02 4 ! GBR 1509 ! SO(S) O 1S 1 0 0G 300.00 5000.00 1000.00 1 ! 21.51 53.01 4.02107800E+00 2.58485600E-04 8.94814200E-08-3.58014500E-11 3.22843000E-15 2 9.51175703E+03 3.45252300E+00 3.08040100E+00 1.80310600E-03 6.70502200E-07 3 -2.06900500E-09 8.51465700E-13 9.82510273E+03 8.58102800E+00 4 ! Zhou: G3 ! HSO T04/07H 1.S 1.O 1. 0.G 200.000 6000.000 1000. 1! -5.20 57.75 4.34724125E+00 2.53372236E-03-9.51430950E-07 1.58095446E-10-9.65294637E-15 2 -4.20893834E+03 3.15887502E+00 4.13565093E+00-3.69243127E-03 2.05169784E-05 3 -2.40530656E-08 9.17084270E-12-3.82371653E+03 5.88770120E+00-2.61672666E+03 4 ! GBR 1509 ! HOS T04/07S 1.O 1.H 1. 0.G 200.000 6000.000 1000. 1 ! -1.60/57.31 4.37246017E+00 2.01398865E-03-6.50854476E-07 9.74413078E-11-5.52225169E-15 2 -2.28578181E+03 3.13657231E+00 3.69440567E+00 3.94327613E-04 1.10155102E-05 3 -1.63102588E-08 7.03352877E-12-1.99257018E+03 7.31635620E+00-8.05146665E+02 4 ! GBR 1509 ! H2SO ALZ/GLA01 BOZ/R H 2O 1S 1 0G 300.000 1500.000 1500.00 0 1 ! -11.26/57.26 0.19580519E+01 0.97265201E-02 0.68413170E-06-0.62343720E-08 0.24166577E-11 2 -0.66770889E+04 0.14783451E+02 0.19580519E+01 0.97265201E-02 0.68413170E-06 3 -0.62343720E-08 0.24166577E-11-0.66770889E+04 0.14783451E+02 4 ! HSOH H 2O 1S 1 0G 300.00 5000.00 1388.00 1 ! -28.52 58.66 0.25676441E+01 0.11380521E-01-0.58667324E-05-0.59470041E-09 0.87438329E-12 2 -0.15571256E+05 0.11766399E+02 0.25676441E+01 0.11380521E-01-0.58667324E-05 3 -0.59470041E-09 0.87438329E-12-0.15571256E+05 0.11766399E+02 4 ! GLABOZ96 ! Zhou - Leeds University ! SO2 tpis89S 1.O 2. 0. 0.G 200.000 6000.000 1000. 1 ! -70.95 59.29 5.38423482E+00 1.67930560E-03-6.32062944E-07 1.08465348E-10-6.66890336E-15 2 -3.76067022E+04-1.83130517E+00 3.67480752E+00 2.28302107E-03 8.46893049E-06 3 -1.36562039E-08 5.76271873E-12-3.69455073E+04 7.96866430E+00-3.56978343E+04 4 ! GBR1509 ! HOSO DAGGLA03 GOUMAR99 H 1O 2S 1 0G 300.000 1500.000 1500.00 0 1 ! -57.70 67.47 0.16184697E+01 0.21164061E-01-0.26690482E-04 0.16272216E-07-0.37779005E-11 2 -0.30255641E+05 0.19477260E+02 0.16184697E+01 0.21164061E-01-0.26690482E-04 3 0.16272216E-07-0.37779005E-11-0.30255641E+05 0.19477260E+02 4 ! DAG/GLA03 GOU/MAR99 ! HSO2 H 1O 2S 1 0G 300.00 2000.00 1000.00 1 ! -33.80 63.00 0.15627374E+01 0.20691389E-01-0.23112073E-04 0.12670203E-07-0.27274176E-11 2 -0.18214824E+05 0.17556820E+02 0.15627374E+01 0.20691389E-01-0.23112073E-04 3 0.12670203E-07-0.27274176E-11-0.18214824E+05 0.17556820E+02 4 ! ALZ/GLA01 GOU/MAR99 ! Zhou - Leeds University ! HSOO H 1O 2S 1 0G 300.00 5000.00 1000.00 1 ! 32.29 67.63 5.87948232E+00 4.58580173E-03-2.93621833E-06 1.10178148E-09-1.86219122E-13 2 1.41706015E+04-1.04622817E+00 3.04640372E+00 1.52114268E-02-1.84762707E-05 3 1.13862234E-08-2.72421836E-12 1.48073744E+04 1.28748017E+01 4 ! Zhou: C. Zhou, K. Sendt, B.S. Haynes, J. Phys. Chem. A 113 (2009) 2975每2981. ! HOSHO ALZ/GLA01 BOZ/R H 2O 2S 1 0G 300.000 1500.000 1500.00 0 1 ! -64.50/64.48 0.11903822E+01 0.25644735E-01-0.26622842E-04 0.13479665E-07-0.26474629E-11 2 -0.33744886E+05 0.19095494E+02 0.11903822E+01 0.25644735E-01-0.26622842E-04 3 0.13479665E-07-0.26474629E-11-0.33744886E+05 0.19095494E+02 4 ! HOSOH ALZ/GLA01 BOZ/R H 2O 2S 1 0G 300.000 1500.000 1500.00 0 1 0.17225311E+01 0.25308046E-01-0.30864965E-04 0.18614741E-07-0.42872813E-11 2 -0.39295778E+05 0.16536892E+02 0.17225311E+01 0.25308046E-01-0.30864965E-04 3 0.18614741E-07-0.42872813E-11-0.39295778E+05 0.16536892E+02 4 ! SO3 tpis89S 1O 3. 0. 0.G 200.000 6000.000 1000. 1 ! -94.61 61.30 7.29677572E+00 2.73576437E-03-1.06377755E-06 1.80776031E-10-1.12077527E-14 2 -5.03096739E+04-1.24246659E+01 2.37461122E+00 1.59543297E-02-1.26322543E-05 3 2.81827264E-09 6.23371547E-13-4.89269231E+04 1.31043046E+01-4.76155540E+04 4 ! GBR 1509 ! HOSO2 H 1O 3S 1 0G 300.00 2000.00 1000.00 0 1 ! -88.67 70.73 7.62277304E+00-4.19908990E-03 3.52054969E-05-4.12715317E-08 1.40006629E-11 2 -4.69478133E+04-7.80787503E+00 7.62277304E+00-4.19908990E-03 3.52054969E-05 3 -4.12715317E-08 1.40006629E-11-4.69478133E+04-7.80787503E+00 4 ! Zhou - Leeds University ! VDW1 H 2O 3S 1 G 300.00 5000.00 1000.00 1 ! -131.26 82.88 1.01262222E+01 3.57132793E-03-7.13009073E-09-5.82222901E-10 1.37375969E-13 2 -6.93881691E+04-1.74036743E+01 8.13179120E+00 8.32444914E-03-2.04192137E-06 3 -2.95153810E-09 1.78217150E-12-6.88287103E+04-6.98378761E+00 4 ! H2O...SO2??: ! Zhou - K. Sendt, B.S. Haynes, J. Phys. Chem. A 109 (2005) 8180每8186; ! K. Sendt, M. Jazbec, B.S. Haynes, Proc. Combust. Inst. 29 (2003) 2439每2446. ! H2SO4 T 8/03H 2.S 1.O 4. 0.G 200.000 6000.00 1000. 1 1.13355392E+01 5.60829109E-03-1.94574192E-06 3.07136054E-10-1.81109544E-14 2 -9.21087435E+04-2.96094003E+01 4.53388173E+00 3.10347679E-02-4.10421795E-05 3 2.95752341E-08-8.81459071E-12-9.05459072E+04 3.93961412E+00-8.81230524E+04 4 ! Burcat ! H2SO4(L) J 9/77H 2S 1O 4 0L 300.000 1000.00 1000. 1 9.94215250E+00 2.17863690E-02 3.49744580E-06-3.35488570E-09 1.16995860E-12 2 -1.01859790E+05-4.43986950E+01 9.94215250E+00 2.17863690E-02 3.49744580E-06 3 -3.35488570E-09 1.16995860E-12-1.01859790E+05-4.43986950E+01-9.79023828E+04 4 ! Burcat ! S2 tpis89S 2 0 0 0G 200.000 6000.000 1 ! 30.73 54.52 3.83249656E+00 8.88970881E-04-2.59080844E-07 3.63847115E-11-1.72606371E-15 2 1.42836134E+04 5.33000845E+00 2.87736627E+00 5.00301430E-03-6.04370732E-06 3 3.04738962E-09-3.87017618E-13 1.44342379E+04 9.79873919E+00 1.54669367E+04 4 ! Zhou - Burcat ! HSS H 1S 2 0G 300.00 2000.00 1000.00 1 ! 25.84 60.94 3.59075969E+00 4.98506901E-03-3.43045513E-06 1.19341826E-09-1.67403033E-13 2 1.17649789E+04 8.92475572E+00 2.81672268E+00 1.03969679E-02-1.55535096E-05 3 1.24197562E-08-3.90834999E-12 1.18156870E+04 1.21143632E+01 4 ! Zhou - K. Sendt, B.S. Haynes, J. Phys. Chem. A 109 (2005) 8180每8186; ! K. Sendt, M. Jazbec, B.S. Haynes, Proc. Combust. Inst. 29 (2003) 2439每2446. ! HSSH H 2S 2 0G 300.00 2000.00 1000.00 1 ! 3.70 61.61 4.69311463E+00 6.01993785E-03-3.01832133E-06 7.52297526E-10-7.91533129E-14 2 1.72179592E+02 2.47728860E+00 2.07852476E+00 1.94742814E-02-2.93966240E-05 3 2.37295586E-08-7.52058161E-12 5.96292301E+02 1.44741864E+01 4 ! Zhou - K. Sendt, B.S. Haynes, J. Phys. Chem. A 109 (2005) 8180每8186; ! K. Sendt, M. Jazbec, B.S. Haynes, Proc. Combust. Inst. 29 (2003) 2439每2446. ! S2O S 2O 1 G 300.00 5000.00 1000.00 1 ! -13.77 63.65 5.69256178E+00 1.42823665E-03-3.95223981E-07-9.64670639E-11 4.47355230E-14 2 -8.82970515E+03-1.14896126E+00 2.89887583E+00 1.15443527E-02-1.46502127E-05 3 9.19411666E-09-2.31495134E-12-8.19312607E+03 1.26535745E+01 4 ! Zhou - K. Sendt, B.S. Haynes, J. Phys. Chem. A 109 (2005) 8180每8186; ! K. Sendt, M. Jazbec, B.S. Haynes, Proc. Combust. Inst. 29 (2003) 2439每2446. ! HSSO H 1O 1S 2 0G 300.00 2000.00 1000.00 1 ! -7.89 68.60 6.11859237E+00 5.59523243E-03-3.70626629E-06 1.22524738E-09-1.62789560E-13 2 -6.05886590E+03-1.97720682E+00 2.70484711E+00 2.32126968E-02-3.77894894E-05 3 3.04178811E-08-9.47692405E-12-5.52811032E+03 1.36259179E+01 4 ! Zhou: PhD; L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. ! Rassolov, J.A. Pople, J. Chem. Phys. 109 (1998) 7764每7776. ?? ! SSO2 O 2S 2 0G 300.00 2000.00 1000.00 1 ! -40.72 68.23 6.34280650E+00 6.05027505E-03-4.24571996E-06 1.40852829E-09-1.81318004E-13 2 -2.27684952E+04-3.78737520E+00 2.80168627E+00 1.99919280E-02-2.56401242E-05 3 1.65559742E-08-4.33620009E-12-2.20225598E+04 1.34189370E+01 4 ! Zhou: PhD; L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. ! Rassolov, J.A. Pople, J. Chem. Phys. 109 (1998) 7764每7776. ?? ! OSSO O 2S 2 0G 300.00 2000.00 1000.00 1 ! -28.15 71.33 8.06932897E+00 2.78600929E-03-1.65788135E-06 4.55717434E-10-4.76687943E-14 2 -1.68597542E+04-1.12637659E+01 4.27684328E+00 1.71764292E-02-2.30032367E-05 3 1.50850596E-08-3.93335889E-12-1.60275576E+04 7.31095245E+00 4 ! Zhou: PhD; L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. ! Rassolov, J.A. Pople, J. Chem. Phys. 109 (1998) 7764每7776. ?? ! HSSO2 H 1O 2S 2 0G 300.00 2000.00 1000.00 1 ! -40.89 73.61 7.76282262E+00 7.02637234E-03-4.08428794E-06 1.12459784E-09-1.18489230E-13 2 -2.33271862E+04-9.48284274E+00 3.49856646E+00 2.50749289E-02-3.40614452E-05 3 2.40531480E-08-6.85626593E-12-2.24794312E+04 1.09552126E+01 4 ! Zhou: PhD; L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. ! Rassolov, J.A. Pople, J. Chem. Phys. 109 (1998) 7764每7776. ?? ! H2S2O2 H 2O 2S 2 G 300.00 5000.00 1000.00 1 ! -69.74 77.82 1.16213004E+01 3.43806006E-03-5.74448284E-07-3.13293096E-10 1.00662179E-13 2 -3.91048380E+04-2.90177401E+01 8.28112013E-01 4.74477762E-02-6.95648159E-05 3 4.87812487E-08-1.32222441E-11-3.69287907E+04 2.29903159E+01 4 ! Zhou - K. Sendt, B.S. Haynes, J. Phys. Chem. A 109 (2005) 8180每8186; ! K. Sendt, M. Jazbec, B.S. Haynes, Proc. Combust. Inst. 29 (2003) 2439每2446. ! S3 tpis89S 3. 0. 0. 0.G 200.000 6000.000 1 ! 34.59 66.02 6.53302278E+00 4.89117086E-04-1.94120477E-07 3.34257105E-11-2.09106833E-15 2 1.53186530E+04-4.42378063E+00 2.67426151E+00 1.85725510E-02-3.39241252E-05 3 2.89518256E-08-9.41515882E-12 1.60320458E+04 1.37269667E+01 1.74079204E+04 4 ! Zhou - Burcat ! H2S3O H 2O 1S 3 G 300.00 5000.00 1000.00 1 ! -17.86 80.56 1.18514105E+01 3.33850673E-03-6.86562800E-07-2.02600304E-10 7.47780445E-14 2 -1.28853402E+04-2.85026663E+01 3.67805059E+00 4.07191390E-02-6.67990246E-05 3 5.28547092E-08-1.60811288E-11-1.13979874E+04 9.98571106E+00 4 ! Zhou - K. Sendt, B.S. Haynes, J. Phys. Chem. A 109 (2005) 8180每8186; ! K. Sendt, M. Jazbec, B.S. Haynes, Proc. Combust. Inst. 29 (2003) 2439每2446. ! HSSSOH H 2O 1S 3 G 300.00 5000.00 1000.00 1 ! -28.04 82.12 1.10809208E+01 3.73387762E-03-2.44411342E-07-6.13453741E-10 1.64649581E-13 2 -1.78355780E+04-2.35331548E+01 2.93988478E+00 4.05695638E-02-6.59918573E-05 3 5.33283075E-08-1.67311298E-11-1.63029028E+04 1.49845285E+01 4 ! Zhou - K. Sendt, B.S. Haynes, J. Phys. Chem. A 109 (2005) 8180每8186; ! K. Sendt, M. Jazbec, B.S. Haynes, Proc. Combust. Inst. 29 (2003) 2439每2446. ! S4 tpis89S 4. 0. 0. 0.G 200.000 6000.000 1 ! 32.41 70.15 9.12781762E+00 9.13784446E-04-3.62719239E-07 6.24637076E-11-3.90794764E-15 2 1.33309374E+04-1.74976107E+01 1.62124479E+00 3.69694158E-02-6.92243749E-05 3 6.03240791E-08-1.99529262E-11 1.46879795E+04 1.76312033E+01 1.63127271E+04 4 ! Zhou - Burcat ! S5 tpis89S 5. 0. 0. 0.G 200.000 6000.000 1 ! 31.78 84.61 1.33325960E+01 2.09782536E-04-3.36431685E-07 8.53311588E-11-6.48294924E-15 2 1.13787913E+04-3.48611560E+01 3.27621083E+00 4.32967838E-02-8.47662885E-05 3 8.12574426E-08-2.97793536E-11 1.36965078E+04 1.41196663E+01 1.59953327E+04 4 ! Zhou - Burcat ! S6 tpis89S 6. 0. 0. 0.G 200.000 2500.000 1 ! 24.21 85.50 1.34043558E+01 3.42127317E-03-1.12816145E-06 1.46420087E-10-6.61286087E-15 2 8.10860569E+03-3.42545590E+01 2.69715935E+00 6.86818730E-02-1.43788282E-04 3 1.35427080E-07-4.71805554E-11 9.35349932E+03 1.24775267E+01 1.21853457E+04 4 ! Zhou - Burcat ! S7 tpis89S 7. 0. 0. 0.G 200.000 6000.000 1 ! 26.73 96.74 1.78534018E+01 1.21114205E-03-4.83082305E-07 8.34576672E-11-5.23294619E-15 2 7.80776842E+03-5.40618730E+01 2.91732736E+00 8.29649517E-02-1.73743030E-04 3 1.63959287E-07-5.74388498E-11 1.01380200E+04 1.37221660E+01 1.34572415E+04 4 ! Zhou - Burcat ! S8 tpis89S 8. 0. 0. 0.G 200.000 6000.000 1 ! 24.20 103.35 2.04307658E+01 5.18092908E-03-2.91895357E-06 5.97574588E-10-4.13758389E-14 2 5.11843364E+03-6.74373075E+01 4.13158109E+00 9.43298552E-02-2.05775943E-04 3 2.05747851E-07-7.51844045E-11 8.20318834E+03 7.83537207E+00 1.21807686E+04 4 ! Zhou - Burcat ! HOCO CLR est L 7/88C 1O 2H 1 0G 200.000 6000.000 1000. 1 !CLR est based on CO2 data and SANDIA 0.46365111E+01 0.27414569E-02-0.99589759E-06 0.16038666E-09-0.91619857E-14 2 !H298=-45.19 kcal/mol -2.44401027E+04 2.54925146E+00 0.23568130E+01 0.89841299E-02-0.71220632E-05 3 !S298= 60.00 cal/mol/K 0.24573008E-08-0.14288548E-12-2.37871697E+04 1.43850505E+01-0.47328105E+05 4 AR BUR0302 L 6/88AR 1 0 0 0G 200.000 6000.000 1000. 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.74537500E+03 0.43796749E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.74537500E+03 0.43796749E+01 0.00000000E+00 4 H BUR0302 L 6/94H 1 0 0 0G 200.000 6000.000 1000. 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.25473660E+05-0.44668285E+00 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.25473660E+05-0.44668285E+00 0.26219035E+05 4 H2 121286H 2 G 0300.00 5000.00 1000.00 1 !LI/DRY04 (v6.1) 2.99142337E+00 7.00064411E-04-5.63382869E-08-9.23157818E-12 1.58275179E-15 2 -8.35033997E+02-1.35511017E+00 3.29812431E+00 8.24944174E-04-8.14301529E-07 3 -9.47543433E-11 4.13487224E-13-1.01252087E+03-3.29409409E+00 4 OH S 9/01O 1H 1 0 0G 200.000 6000.000 1000. 1 !LI/DRY04 (v6.1) 2.86472886E+00 1.05650448E-03-2.59082758E-07 3.05218674E-11-1.33195876E-15 2 3.68362875E+03 5.70164073E+00 4.12530561E+00-3.22544939E-03 6.52764691E-06 3 -5.79853643E-09 2.06237379E-12 3.34630913E+03-6.90432960E-01 4.51532273E+03 4 HO2 L 5/89H 1O 2 00 00G 200.000 3500.000 1000.000 1 !LI/DRY04 (v6.1) 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14 2 1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 3 -2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 1.00021620E+04 4 H2O 20387H 2O 1 G 0300.00 5000.00 1000.00 1 !LI/DRY04 (v6.1) 2.67214561E+00 3.05629289E-03-8.73026011E-07 1.20099639E-10-6.39161787E-15 2 -2.98992090E+04 6.86281681E+00 3.38684249E+00 3.47498246E-03-6.35469633E-06 3 6.96858127E-09-2.50658847E-12-3.02081133E+04 2.59023285E+00 4 H2O2 120186H 2O 2 G 0300.00 5000.00 1000.00 1 !LI/DRY04 (v6.1) 4.57316685E+00 4.33613639E-03-1.47468882E-06 2.34890357E-10-1.43165356E-14 2 -1.80069609E+04 5.01136959E-01 3.38875365E+00 6.56922581E-03-1.48501258E-07 3 -4.62580552E-09 2.47151475E-12-1.76631465E+04 6.78536320E+00 4 End ******************************************************************************************************** ******************************************************************************************************** ******************************************************************************************************** ELEMENTS O C N S H AR END SPECIES CS2 CS S SO O O2 OCS S2 CO S2O SO2 SO3 OCS2 CS3 N2 SO(S) O(S) O3 H2O H2S CO2 S2 S2O SH H2S HSS HSSH HSO HOS HSOH HOSO HSO2 H2SO HOSHO HOSO2 H H2 OH H2O HO2 H2O2 HSSO VDW1 HSSO2 SSO2 HSOO S3 S4 S5 S6 S7 S8 OSSO VDW1 H2S3O HSSSOH HSSO2 H2S2O2 HOCO AR END REACTIONS SO+M=S+O+M 4.0E14 0.0 107000 ! 1 ! Plach HJ Troe J IJCK 16:1531 1984 ! ! SO+O2=SO2+O 2.3E12 0.0 7300 !R1 ! SO+O2=SO2+O 9.0E06 1.40 3712 ! ### GAR98 ! SO+O2=SO2+O 7.60E+03 2.370 2970 ! ALZ/GLA01 TSU/MAT97 ! SO+O2=SO2+O 2.6E10 1.40 3697 !R2 ! SO+O2=SO2+O 1.3E11 0.0 4600 !R3 SO+O2=SO2+O 9.0E03 2.370 2970 !R4 ! SO+O2=SO2+O 7.6E03 2.370 3270 ! Tsuchiya K Kamiya K Matsui H IJCK 29:57-66 1997 ! SO+O(+M)=SO2(+M) 3.2E13 0.0 0 ! 3 LOW /1.2E21 -1.54 0/ ! TROE /0.55 1E-30 1E30/ ! N2/1.5/ SO2/10/ ! SO(S)+M=SO+M 1.0E13 0.0 0 ! 4 ! CL Rasmussen P Glarborg P Marshall; Proc Combust Inst 31 (2007) 339-347 ! est ! SO(S)+O2=SO2+O 1.0E13 0.0 0 ! 5 ! CL Rasmussen P Glarborg P Marshall; Proc Combust Inst 31 (2007) 339-347 ! est ! SO2+S=SO+SO 6.0E12 0.0 9000 ! 6 Revised ! Murakami Y Onishi S Kobayashi T Fujii N Isshiki N Tsuchiya K Tezaki A Matsui H JPCA 107:10996-11000 2003 ! SO2+O(+N2)=SO3(+N2) 3.7E11 0.0 1689 ! 7 LOW /2.9E27 -3.58 5206/ ! N2 TROE /0.43 371 7442/ ! SO3+O=SO2+O2 7.8E11 0.0 6100 ! 8 ! A Yilmaz L Hindiyarti AD Jensen P Glarborg P Marshall, JPCA 110 (2006) 6654-6659. ! SO3+SO=SO2+SO2 7.6E03 2.370 2980 ! 9 ! Glarborg P Marshall P CF 141:22-38 2004 ! ! S2+M=S+S+M 4.8E13 0.0 77000 ! 10 ! Higashihara T Saito K Murakami I Bull. Chem. Soc. Jpn. 53:15 1980 ! S2+O=SO+S 1.0E13 0.000 0 ! 11 ! Singleton DL Cvetanovic RJ JPCRD 17:1377 1988 ! S2+O2=S2O+O 1.7E04 2.539 34376 ! 12 1.4E05 Care ! Ryan G3 barrier ! S2O+O=SO+SO 9.3E11 0.000 0 ! 13 ! BSH NIST ! ! ! ***************************************************************************** ! CS2 oxidation ! ***************************************************************************** ! CS+S(+M)=CS2(+M) 1.9E26 -4.300 0 ! 14 LOW / 6.2E23 -2.42 0 / ! ! Troe, J.; Marshall, P.; Glarborg, P., in preparation (2013). ! CS2+O=CS+SO 3.2E13 0.000 1630 ! 15 Revised ! Singleton DL Cvetanovic RJ J Phys Chem Ref Data 1988, 17, 1377-1437 (ktot) ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! CS2+O=OCS+S 2.9E12 0.000 1630 ! 16 ! Singleton DL Cvetanovic RJ J Phys Chem Ref Data 1988, 17, 1377-1437 (ktot) ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! CS2+O=CO+S2 1.6E12 0.000 1630 ! 17 ! Singleton DL Cvetanovic RJ J Phys Chem Ref Data 1988, 17, 1377-1437 (ktot) ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! !CS2+O2=OCS+SO 3.6E11 0.000 35574 ! ISC pathway !CS2+O2=OCS+SO 1.6E13 0.000 61600 ! Triplet pathway ! CS2+O2=OCS+SO 7.32E11 0.000 50400 ! Triplet pathway 18 !CS2+O2=CS+SO2 1.0E12 0 31050 ! Maria ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! !CS2+O2=OCS+SO(S) 1.0E12 0 31050 !!!!! !CS2+O2=OCS+SO(S) 3.6E12 0.000 33500 ! 19 ISC pathway CS2+O2=OCS+SO(S) 3.6E12 0.000 31000 ! 19 ISC pathway ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! CS2+S(+M)=CS3(+M) 1.3E12 0.000 0 ! 20 LOW / 2.5E21 -1.600 0 / ! ! Gao, Y.; Marshall, P. J Chem Phys 2011, 135, 144306. ! CS2+S=CS+S2 6.9E13 0.000 8837 ! 21 ! Gao, Y.; Marshall, P. J Chem Phys 2011, 135, 144306. ! CS2+SO=S2+OCS 4.7E11 0.000 14800 ! 22 we revised !!!! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! est ! CS2+SO2=OCS+S2O 7.8E12 0.000 48600 ! 23 ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! CS+O=CO+S 1.6E14 0.000 1510 ! 24 added ! Atkinson R Baulch DL Cox RA Crowley JN Hampson RF Hynes RG Jenkin ME Rossi MJ Troe J Atmos Chem Phys 2004, 4, 1461-1738. ! !CS+O2=OCS+O 8.1E12 0.0 20500! Triplet pathway !CS+O2=OCS+O 8.1E12 0.0 19500! 25 ISC pathway !CS+O2=OCS+O 8.1E12 0.0 16000 ! Maria estimation CS+O2=CO+SO 9.5E12 0.0 16000 ! Maria estimation ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! CS+O3=OCS+O2 4.5E12 0.000 6000 ! 26 added ! Atkinson R Baulch DL Cox RA Crowley JN Hampson RF Hynes RG Jenkin ME Rossi MJ Troe J Atmos Chem Phys 2004, 4, 1461-1738. ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw (est Ea) ! CS+OCS=CS2+CO 2.0E12 0.000 37700 ! 27 ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! est as OCS+SO ! !CS+SO=OCS+S 3.6E05 2.193 2465 ! 28 we revised CS+SO=OCS+S 3.6E05 2.193 3465 ! 28 ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! CS+SO2=OCS+SO 2.7E12 0.000 24300 ! 29 ! P Glarborg B Halaburt P Marshall J Troe M Thellefsen K Christensen, pw ! est as CO+SO2 ! !OCS+M=CO+S+M 2.5E14 0.000 78800 ! 30 !OCS+M=CO+S+M 2.5E13 0.000 61400 ! 30 OCS+M=CO+S+M 3.0E14 0.000 58400 ! 30 ! Oya M Shiina H Tsuchiya K Matsui H Bull Chem Soc Jpn 1994, 67, 2311-2313 ! !OCS+O=CO+SO 4.7E13 0.000 1000 ! 31 !OCS+O=CO+SO 7.6E12 0.000 4500 ! 31 OCS+O=CO+SO 4.7E13 0.000 5200 ! DUP ! OCS+O=CO+SO -2.0E13 0.000 7385 ! DUP ! Singleton DL Cvetanovic RJ J Phys Chem Ref Data 1988, 17, 1377-1437 (ktot) ! P Glarborg P Marshall Int J Chem Kinet 45 (2013) 429-439 ! !OCS+O2=CO+SO2 9.0E13 0.000 26000 ! 33 Care OCS+O2=CO+SO2 3.2E14 0.000 22900 ! 33 Care ! OCS+O2=CO+SO2 1.0E12 0.000 32000 ! 33 Care ! P Glarborg P Marshall Int J Chem Kinet 45 (2013) 429-439 ! est CS+O2 ! !OCS+S=CO+S2 4.0E04 2.570 2345 ! 34 OCS+S=CO+S2 5.0E05 2.620 2345 ! 34 ! Lu C-W Wu Y-J Lee Y-P Zhu RS Lin MCJ Chem Phys 2006, 125, 164329 ! OCS+S=OCS2 2.4E34 -8.220 9476 ! 35 OCS+SO=S2O+CO 2.0E12 0.000 37700 ! 36 ! P Glarborg P Marshall Int J Chem Kinet 45 (2013) 429-439 ! OCS2+O=OCS+SO 6.0E13 0.000 0 ! 37 ! P Glarborg P Marshall Int J Chem Kinet 45 (2013) 429-439 ! est ! OCS2+S=OCS+S2 6.0E13 0.000 0 ! 38 ! Lu C-W Wu Y-J Lee Y-P Zhu RS Lin MCJ Chem Phys 2006, 125, 164329 ! OCS2+O2=OCS+SO2 1.0E13 0.000 0 ! 39!!!!!!!! ! P Glarborg P Marshall Int J Chem Kinet 45 (2013) 429-439 ! est ! CS3+O=CS2+SO 6.0E13 0.000 0 ! 40 ! P Glarborg P Marshall Int J Chem Kinet 45 (2013) 429-439 ! est ! CS3+S=CS2+S2 6.0E13 0.000 0 ! 41 ! P Glarborg P Marshall Int J Chem Kinet 45 (2013) 429-439 ! est ! SO+S+M=S2O+M 4.100E+22 -2.170 0 ! est as SO+O+M 42 N2/1.5/ SO2/10/ ! SO2+O(+M)=SO3(+M) 3.700E+11 0.0 1689 ! HIN/MAR06 NAI/MAR04 (Ar) 43 LOW /2.4E+27 -3.60 5186/ ! TROE /0.442 316 7442/ ! N2/0/ SO2/10/ ! ! S+O2=SO+O 5.4E5 2.11 -1450 ! 44 ! S+O2=SO+O 1.11E12 0 2400 ! S+O2=SO+O 7.5E5 2.11 -1450 ! 44 ! S+O2=SO+O 5.2E4 2.4 -1900 ! 44 S+O3=SO+O2 7.2E12 0.00 0 ! 45 added SO+O3=SO2+O2 2.7E12 0.00 2284! 46 added ! !CS+O2=OCS+O(S) 7.1E07 1.57 11850 !O(S)+O=O+O 2.54E11 0.00 0 !O(S)+O2=O2+O 3.2E12 0.00 0 !O(S)+N2=O+N2 1.79E12 0.00 0 CS2+H2O=H2S+OCS 2.07E13 0.00 41500 OCS+H2O=H2S+CO2 1.54E13 0.00 35300 H+O2=O+OH 1.0E14 0.000 15286 ! O+H2=OH+H 3.8E12 0.000 7948 ! DUPLICATE ! O+H2=OH+H 8.8E14 0.000 19175 ! DUPLICATE ! OH+H2=H+H2O 2.2E08 1.510 3430 ! OH+OH=O+H2O 1.4E07 1.689 -1167 ! DUPLICATE OH+OH=O+H2O -2.7E10 0.567 0 ! DUPLICATE H2+M=H+H+M 4.6E19 -1.400 104380 ! H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ AR/0.0/ DUP H2+M=H+H+M 5.8E18 -1.100 104380 ! AR/1.0/ DUP H+O+M=OH+M 4.7E18 -1.000 0 ! H2/2.5/ H2O/12/ AR/0.75/ CO/1.9/ CO2/3.8/ O+O+M=O2+M 1.9E13 0.000 -1788 ! H2/2.5/ H2O/12/ AR/0.0/ CO/1.9/ CO2/3.8/ H2O+M = H+OH+M 6.1E27 -3.322 120790 ! H2/3.0/ H2O/0.0/ N2/2.0/ O2/1.5/ CO/1.9/ CO2/3.8/ H2O+H2O = H+OH+H2O 1.006E+26 -2.44 1.2018E+05 H+O2(+M)=HO2(+M) 4.7E12 0.440 0 ! LOW/6.366E+20 -1.72 5.248E+02/ TROE/0.5 1E-30 1E+30/ H2/2.0/ H2O/14/ O2/0.78/ CO/1.9/ CO2/3.8/ AR/0.67/ HO2+H=H2+O2 2.8E06 2.090 -1451 ! HO2+H=OH+OH 7.1E13 0.000 295 ! HO2+H=H2O+O 1.4E12 0.000 0 ! HO2+O=O2+OH 2.9E10 1.000 -724 ! HO2+OH = H2O+O2 1.93E20 -2.49 5.84E+02 DUPLICATE HO2+OH = H2O+O2 1.21E+09 1.24 -1.31E+03 DUPLICATE HO2+HO2=H2O2+O2 1.2E09 0.7712 -1825 ! DUPLICATE HO2+HO2=H2O2+O2 1.3E12 0.295 7397 ! DUPLICATE H2O2(+M) = OH+OH(+M) 2.00E+12 0.90 4.8749E+04 LOW/2.49E+24 -2.30 4.8749E+04/ TROE/0.43 1E-30 1E+30/ AR/1.0/ H2O/7.5/ CO2/1.6/ N2/1.5/ O2/1.2/ H2O2/7.7/ H2/3.7/ CO/2.8/ H2O2+H=H2O+OH 2.4E13 0.000 3970 ! H2O2+H=HO2+H2 4.8E13 0.000 7950 ! H2O2+O=HO2+OH 9.6E06 2.000 3970 ! H2O2+OH=HO2+H2O 1.7E12 0.000 318 ! DUPLICATE H2O2+OH=HO2+H2O 7.6E13 0.000 7270 ! DUPLICATE O+O2+M=O3+M 1.88E+21 -2.8 0.0 !private communication O+O3=O2+O2 4.80E+12 0.0 4090.0 !Atkinson et al. (2004) H+O3=OH+O2 8.43E+13 0.0 950.0 !Atkinson et al. (2004) OH+O3=HO2+O2 1.14E+12 0.0 2000.0 !Atkinson et al. (2004) HO2+O3=OH+O2+O2 8.43E+09 0.0 1200.0 !Zahniser et al. (1980) CO+O(+M)=CO2(+M) 1.8E10 0.000 2384 ! LOW /1.35E24 -2.79 4191/ ! TROE /1.0 1E-30 1E30 1E30/ ! H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ ! CO+OH=CO2+H 8.7E05 1.730 -685 ! CO+OH=HOCO 2.0E20 -3.500 1309 ! 1.0 atm interpolation - LPL (JPS,SJK,&JAM 30th Symp) CO+HO2=CO2+OH 1.6E05 2.180 17943 ! CO+O2=CO2+O 4.7E12 0.000 60500 ! CO+H2O2=HOCO+OH 3.6E04 2.500 28660 ! HOCO(+M)=CO2+H(+M) 8.2E11 0.413 35335 ! LOW / 6.0E26 -3.148 37116 / ! TROE / 0.39 1.0E-30 1.0E30 / ! Fc = 0.39 HOCO+H=CO2+H2 3.1E17 -1.3475 555 ! HOCO+H=CO+H2O 6.0E15 -0.525 2125 ! HOCO+O=CO2+OH 9.0E12 0.000 0 ! HOCO+OH=CO2+H2O 4.6E12 0.000 -89 ! DUPLICATE ! HOCO+OH=CO2+H2O 9.5E06 2.000 -89 ! DUPLICATE ! HOCO+HO2=CO2+H2O2 4.0E13 0.000 0 ! HOCO+O2=CO2+HO2 4.0E09 1.000 0 ! H2S+M=S+H2+M 1.6E24 -2.613 89100 ! N2/1.5/ SO2/10/ H2O/10/ ! H2S+H=SH+H2 3.5E07 1.940 904 ! H2S+O=SH+OH 7.5E07 1.750 2900 ! H2S+O=HSO+H 1.4E09 1.100 5099 ! H2S+OH=SH+H2O 8.7E13 -0.700 0 ! DUP H2S+OH=SH+H2O 4.1E07 1.770 0 ! DUP H2S+HO2=HSO+H2O 1.0E00 3.288 6224 ! SH+H2O2=H2S+HO2 5.6E04 2.823 8668 ! SH+HO2=H2S+O2 3.8E04 2.775 -1529 ! H2S+O2=HSO+OH 1.0E11 0.000 49100 ! H2S+O3=SO2+H2O 1.7E03 2.67 11390 DUP H2S+O3=SO2+H2O 1.3E04 2.19 11607 DUP H2S+O3=SO2+H2O 5.3E08 1.66 11655 DUP H2S+O3=HOSO+OH 1.1E03 2.77 11369! H2S+S=SH+SH 7.4E06 2.300 9000 ! DUP H2S+S=SH+SH 4.7E07 1.325 -436 ! kinf (fitted from figure) ## !H2S+S=SH+SH 1.2E18 -1.685 5970 ! DUP HSO+SH=SO+H2S 1.0E13 0.000 0 ! H2S+SO=HOS+SH 1.0E13 0.000 36500 ! H2S+SO(S)=HSO+SH 1.0E13 0.000 11000 ! H2S+SO2=S2O+H2O 1.7E06 1.857 37810 ! H2S+SO2=H2S2O2 3.5E18 -2.121 33530 ! H2S+HSO=SH+HSOH 1.0E13 0.000 17300 ! H2S+HOS=SH+HSOH 1.0E13 0.000 12500 ! H2S+S2O=H2S3O 2.4E19 -2.307 30450 ! H2S+S2O=S3+H2O 8.0E07 1.506 34010 ! H2S+S2O=HSSSOH 2.9E+00 3.638 22681 ! S+H+M=SH+M 6.2E16 -0.600 0 ! S+H2=SH+H 1.4E14 0.000 19300 ! SH+O=H+SO 4.3E11 0.724 -1027 ! SH+O=S+OH 1.8E12 0.000 0 ! DUP SH+O=S+OH 4.3E06 2.103 3583 ! DUP SH+OH=S+H2O 1.0E14 0 0 ! SH+OH=HOS+H 1.0E13 0.000 7400 ! SH+HO2=HSO+OH 2.5E08 1.477 -2169 ! SH+HO2=SO+H2O 3.2E02 2.579 -2071 ! S+H2O2=SH+HO2 4.1E06 2.200 12619 ! SH+O2=HSO+O 2.3E06 1.816 20008 ! SH+O2=S+HO2 4.7E06 2.017 36913 ! SH+O2=SO+OH 7.5E04 2.052 16384 ! SH+O2=H+SO2 1.5E05 2.123 11020 ! SH+H2O2=HSOH+OH 9.5E03 2.800 9829 ! SH+O3=HSO+O2 5.7E12 0.000 556 ! SH+S=S2+H 3.3E12 0.543 -29 ! SH+SO=HSO+S 1.0E13 0.000 25000 ! SH+SO=HOS+S 1.0E13 0.000 30000 ! SH+HSO=S+HSOH 1.0E11 0.000 11000 ! SH+HSO=S2O+H2 1.0E14 0.000 14250 ! S2O+H2=SH+HOS 1.0E13 0.000 46000 ! SH+SO=S2O+H 1.0E12 0.000 5000 ! SH+SO2=HSO+SO 1.0E14 0.000 32000 ! SH+SO2=HOS+SO 1.0E14 0.000 36000 ! SH+SO2=OH+S2O 1.0E14 0.000 32000 ! SH+SO2=HSSO2 1.0E13 0.000 33000 ! S+OH=H+SO 1.5E13 0.191 -1361 ! S+HO2=SO+OH 5.7E13 0.000 0 ! S+HO2=HOS+O 1.0E13 0.000 0 ! !S+O2=SO+O 5.4E05 2.110 -1450 ! !S+O3=SO+O2 7.2E12 0.000 0 ! S+H2O2=HOS+OH 1.0E12 0.000 0 ! !SO+M=S+O+M 4.0E14 0.000 107000 ! SO+H+M=HSO+M 1.9E20 -1.310 662 ! N2/1.5/ SO2/10/ H2O/10/ ! !SO+O+M=SO2+M 4.1E22 -2.170 0 ! ! N2/1.5/ SO2/10/ H2O/10/ ! SO+HO2=SO2+OH 1.0E12 0.000 0 ! ## !SO+O2=SO2+O 7.60E+03 2.370 2970 ! ALZ/GLA01 TSU/MAT97 !SO+O3=SO2+O2 2.7E12 0.000 2325 ! !SO+S+M=S2O+M 4.1E22 -2.170 0 ! ! N2/1.5/ SO2/10/ H2O/10/ ! SO+SH=S2+OH 1.0E12 0.000 4320 !est !SO(S)+M=SO+M 1.0E13 0.000 0 ! !SO(S)+O2=SO2+O 1.0E13 0.000 0 ! SO2+H=SO+OH 6.7E21 -2.220 30736 ! SO2+H(+M)=HSO2(+M) 5.3E08 1.590 2470 ! LOW /1.4E+31 -5.19 4510/ ! TROE /0.390 167 2191/ ! N2/1/ SO2/10/ H2O/10/ ! SO2+H(+M)=HOSO(+M) 2.4E08 1.630 7340 ! LOW /1.8E+37 -6.14 11070/ ! TROE /0.283 272 3995/ ! N2/1/ SO2/10/ H2O/10/ ! !SO2+O(+M)=SO3(+M) 3.7E11 0.000 1689 ! ! LOW /2.9E27 -3.58 5206/ ! N2 ! TROE /0.43 371 7442/ ! ! N2/1/ SO2/10/ H2O/10/ ! SO2+OH(+M)=HOSO2(+M) 5.7E12 -0.270 0 ! LOW /1.7E27 -4.09 0/ ! TROE /0.10 1E-30 1E+30/ ! N2/1/ SO2/5/ H2O/5/ ! SO2+H2O=VDW1 1.0E14 0.000 0 ! SO2+O3=SO3+O2 1.8E12 0.000 14000 ! SO2+CO=SO+CO2 1.9E13 0.000 65900 ! !SO2+S=SO+SO 6.0E-16 8.210 9600 ! !SO2+SO2=SO3+SO 5.0E07 2.000 75000 ! SO3+H=SO2+OH 8.4E09 1.220 3320 ! SO3+H=HOSO+O 2.5E05 2.920 50300 ! !SO3+O=SO2+O2 2.8E04 2.570 29200 ! SO3+OH=SO2+HO2 4.8E04 2.460 27250 ! SO3+S=SO+SO2 1.0E13 0.000 0 ! HSO+H=SO+H2 1.0E13 0.000 0 ! HSO+H=HOS+H 1.0E14 0.00 4000 ! HSO+H=HSOH 2.5E20 -3.140 920 ! HSO+H=SH+OH 4.9E19 -1.860 1560 ! HSO+H=S+H2O 1.6E09 1.370 -340 ! HSO+H=H2SO 1.8E17 -2.470 50 ! HSO+O+M=HSO2+M 1.1E19 -1.730 -50 ! HSO+O=SO2+H 4.5E14 -0.400 0 ! HSO+O+M=HOSO+M 6.9E19 -1.610 1590 ! HSO+O=HOS+O 4.8E08 1.020 5340 ! HSO+O=OH+SO 1.4E13 0.150 300 ! HSO+OH=HOSHO 5.2E28 -5.440 3170 ! HSO+OH=HOSO+H 5.3E07 1.570 3750 ! HSO+OH=SO+H2O 1.7E09 1.030 470 ! HSO+OH=H2+SO2 1.0E11 0.000 0 ! HSO+HO2=SO+H2O2 1.0E13 0.000 0 ! HSO+O2=SO+HO2 6.4E05 2.627 19013 ! DUP HSO+O2=SO+HO2 2.9E01 3.200 14529 ! #*# DUP HSO+O2=SO2+OH 3.7E01 2.764 6575 ! HSO+O2=HSO2+O 8.4E-7 5.100 11312 ! HSO+O3=SH+O2+O2 1.5E12 0.000 2230 ! HSO+O3=HSO2+O2 1.3E12 0.000 2230 ! HSO+O3=SO+OH+O2 5.0E00 3.630 7191 ! HSO+HSO=SO+HSOH 1.0E13 0.000 0 ! HSO+S2=HSS+SO 1.0E12 0.000 3000 ! H+SO+M=HOS+M 3.6E20 -1.924 -29 ! N2 /0/ H+SO+N2=HOS+N2 2.0E21 -2.093 -72 ! HOS+M=HSO+M 5.8E11 0.000 32722 ! N2 /0/ HOS+N2=HSO+N2 2.9E11 0.000 24601 ! ! Sendt K Haynes BS Proc Combust Inst 2007, 31, 257每265 ! HOS+H=H2+SO 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOS+O=OH+SO 1.0E14 0.000 0 ! ! Zhou est (2009) ! HOS+O=H+SO2 1.0E14 0.000 0 ! ! Zhou est (2009) ! HOS+OH=SO+H2O 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOS+OH=H2+SO2 1.0E11 0.000 0 ! ! Zhou est (2009) ! HOS+O2=HO2+SO 6.4E05 2.627 19013 ! ! Zhou est (2009) ! HOS+O2=SO2+OH 3.7E01 2.764 6575 ! ! Zhou est (2009) ! HOS+HO2=SO+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOS+HOS=SO+HSOH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOS+S2=HSS+SO 1.0E12 0.000 1000 ! ! Zhou est (2009) ! HOS+S2=S3+OH 1.0E13 0.000 13000 ! ! Zhou est (2009) ! HSOH=SH+OH 2.8E39 -8.750 75200 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HSOH=S+H2O 5.8E29 -5.600 54500 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HSOH=H2S+O 9.8E16 -3.400 86500 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HSOH+HO2=HSO+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSOH+HO2=HOS+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSOH+O2=HSO+HO2 1.0E13 0.000 26000 ! ! Zhou est (2009) ! HSOH+O2=HOS+HO2 1.0E13 0.000 30000 ! ! Zhou est (2009) ! HSOH+O=HSO+OH 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSOH+O=HOS+OH 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSOH+H=HSO+H2 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSOH+H=HOS+H2 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSOH+OH=HSO+H2O 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSOH+OH=HOS+H2O 1.0E14 0.000 0 ! ! Zhou est (2009) ! HOSO(+M)=OH+SO(+M) 9.9E21 -2.540 75891 ! LOW /1.2E46 -9.020 52953/ TROE/0.95 2989 1.1/ ! Hughes KJ Blitz MA Pilling MJ Robertson SH Proc Combust Inst 2002, 29, 2431-2437 ! HOSO(+M)=HSO2(+M) 1.0E09 1.030 50000 ! LOW /1.7E35 -5.64 55400/ ! TROE /0.40 1E-30 1E+30/ ! N2/1/ SO2/10/ H2O/10/ ! ! A Goumri J-DR Rocha D Laakso CE Smith P Marshall J. Phys. Chem. A 103 (1999) 11328每11335 ! HOSO+M=O+HOS+M 2.5E30 -4.800 119000 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSO+H=SO2+H2 1.8E07 1.720 -1286 ! ! X Hu P Marshall, poster presented at the 18th International Symposium on Gas Kinetics, Bristol, UK, August, 7每12, 2004 ! HOSO+H=SO(S)+H2O 2.4E14 0.000 0 ! ! X Hu P Marshall, poster presented at the 18th International Symposium on Gas Kinetics, Bristol, UK, August, 7每12, 2004 ! HOSO+O=SO2+OH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+OH=SO2+H2O 6.0E12 0.000 0 ! ! Rasmussen CL Glarborg P Marshall P Proc Combust Inst 2007, 31, 339每347 est ! HOSO+HO2=SO2+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+O2=HO2+SO2 9.6E01 2.355 -10130 ! (T>400K) ! Rasmussen CL Glarborg P Marshall P Proc Combust Inst 2007, 31, 339每347 ! HOSO+SH=SO2+H2S 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+S=SO2+SH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+SO=SO2+HSO 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+SO=SO2+HOS 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+HSO=SO2+HSOH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+HOS=SO2+HSOH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+HSS=SO2+HSSH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HOSO+S2=SO2+HSS 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+H=SO2+H2 5.0E12 0.460 -262 ! ! X Hu P Marshall, poster presented at the 18th International Symposium on Gas Kinetics, Bristol, UK, August, 7每12, 2004 ! HSO2+O=SO2+OH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+OH=SO2+H2O 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+HO2=SO2+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+O2=HO2+SO2 1.1E03 3.200 -235 ! ! Rasmussen CL Glarborg P Marshall P Proc Combust Inst 2007, 31, 339每347 ! HSO2+O3=SO2+OH+O2 1.0E13 0.000 0 ! ! est ! HSO2+SH=SO2+H2S 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+S=SO2+SH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+SO=SO2+HSO 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+SO=SO2+HOS 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+HSO=SO2+HSOH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+HSS=SO2+HSSH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSO2+S2=SO2+HSS 1.0E13 0.000 0 ! ! Zhou est (2009) ! SH+O2(+M)=HSOO(+M) 8.7E14 -0.260 298 ! LOW/3.1E19 -2.01 20/ ! A. Goumri, J.-D.R. Rocha, D. Laakso, C.E. Smith, P. Marshall, J. Phys. Chem. A 1999, 103, 11328-11335. ! HSOO(+M)=HSO+O(+M) 2.0E19 -1.070 28374 ! LOW /9.3E34 -5.87 30957/ ! ! A. Goumri, J.-D.R. Rocha, D. Laakso, C.E. Smith, P. Marshall, J. Phys. Chem. A 1999, 103, 11328-11335. ! H2SO=H2S+O 4.9E28 -6.660 71700 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSHO=HOSO+H 6.4E30 -5.890 73800 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSHO=SO+H2O 1.2E24 -3.590 59500 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSHO+H=HOSO+H2 1.0E12 0.000 0 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSHO+O=HOSO+OH 5.0E12 0.000 0 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSHO+OH=HOSO+H2O 1.0E12 0.000 0 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSO2=HOSO+O 5.4E18 -2.340 106300 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSO2=SO3+H 1.4E18 -2.910 54900 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSO2+H=SO2+H2O 1.0E12 0.000 0 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSO2+O=SO3+OH 5.0E12 0.000 0 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSO2+OH=SO3+H2O 1.0E12 0.000 0 ! ! P Glarborg D Kubel K Dam-Johansen H-M Chiang JW Bozzelli Int J Chem Kinet 28 (1996) 773-790 ! HOSO2+O2=HO2+SO3 7.8E11 0.000 656 ! ! Atkinson R Baulch DL Cox RA Crowley JN Hampson RF Hynes RG Jenkin ME Rossi MJ Troe J Atmos Chem Phys 2004 4 1461-1738.! ! HOSO2+S=SH+SO3 1.0E13 0.000 0 ! ! Zhou est (2009) ! SH+SH(+M)=HSSH(+M) 0.9E12 0.155 -1432 ! A-factor reduced !SH+SH(+M)=HSSH(+M) 3.5E12 0.155 -1432 ! LOW /0.23290E32 -0.49430E01 0.19980E04/ TROE /0.1000E01 0.2540E03 0.23730E+04/ ! CR Zhou K Sendt BS Haynes J. Phys. Chem. A 2009, 112, 3239-3247 ! H2S+S(+M)=HSSH(+M) 6.4E07 1.280 -478 ! Low /2.4E21 -1.612 1670/ TROE /0.5 726 726/ N2 /1.3/ ! CR Zhou K Sendt BS Haynes J. Phys. Chem. A 2009, 112, 3239-3247 ! HSSH+H=HSS+H2 5.0E07 1.933 -1408 ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! HSSH+H=H2S+SH 3.7E08 1.724 467 ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! HSSH+O=HSS+OH 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSSH+O=HSO+SH 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSSH+OH=HSS+H2O 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSH+HO2=HSS+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSH+O2=HSS+HO2 1.0E13 0.000 26000 ! ! Zhou est (2009) ! HSSH+S=HSS+SH 2.9E06 2.310 1204 ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! HSSH+SH=HSS+H2S 6.4E03 2.980 -1480 ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! HSSH+SO=HSS+HSO 1.0E13 0.000 15000 ! ! Zhou est (2009) ! HSSH+SO=HSS+HOS 1.0E13 0.000 19000 ! ! Zhou est (2009) ! HSSH+HSO=HSS+HSOH 1.0E13 0.000 2000 ! ! Zhou est (2009) ! HSSH+HOS=HSS+HSOH 1.0E13 0.000 2000 ! ! Zhou est (2009) ! S2+H+M=HSS+M 1.2E25 -2.840 1665 ! H2S /1.1/ AR /0.88/ ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! HSS+H=SH+SH 9.7E07 1.620 -1030 ! DUP ! HSS+H=SH+SH 1.6E18 -0.983 261 ! DUP ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! CR Zhou K Sendt BS Haynes J. Phys. Chem. A 2009, 112, 3239-3247 ! HSS+H=H2+S2 1.0E08 1.750 -877 ! DUP HSS+H=H2+S2 2.9E16 -0.894 -56 ! DUP ! CR Zhou K Sendt BS Haynes J. Phys. Chem. A 2009, 112, 3239-3247 ! HSS+H=H2S+S 1.5E08 1.551 2259 ! DUP HSS+H=H2S+S 4.2E18 -1.563 472 ! DUP ! CR Zhou K Sendt BS Haynes J. Phys. Chem. A 2009, 112, 3239-3247 ! HSS+O=S2+OH 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSS+O=SH+SO 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSS+OH=S2+H2O 1.0E14 0.000 0 ! ! Zhou est (2009) ! HSS+HO2=S2+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSS+O2=HSSO+O 1.0E13 0.000 26000 ! ! Zhou est (2009) ! HSS+O2=S2+HO2 8.4E01 2.950 7071 ! #*# ! pw (PM 2015) !HSS+O2=HO2+S2 4.1E03 2.500 10585 ! ! Zhou (Molina Sendt TST) (2009) ! HSS+O2=HSO+SO 6.6E03 1.900 7071 ! ! Zhou (Molina Sendt TST) (2009) ! HSS+S=S2+SH 4.2E06 2.200 -600 ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! HSS+SH=H2S+S2 6.3E03 3.050 -1105 ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! HSS+SO=S3+OH 1.0E13 0.000 14900 ! ! Zhou est (2009) ! HSS+SO3=HSSO+SO2 1.0E13 0.000 10000 ! ! Zhou est (2009) ! HSS+HSO=HSSO+SH 1.0E13 0.000 7000 ! ! Zhou est (2009) ! HSS+HSO=S2+HSOH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSS+HOS=S2+HSOH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSS+HSS=HSSH+S2 9.6E00 3.370 -1672 ! ! Sendt K Jazbec M Haynes BS PCI 29:2439-2446 2002 ! !S+S(+M)=S2(+M) 1.4E10 0.000 -825 ! ! LOW /7.2E14 0.0 -408 / ! ! Du, S.Y.; Francisco, J.S.; Shepler, B.C.; Peterson, K.A. J. Chem. Phys. 128 204306 2008 ! !S2+O+M=S2O+M 1.9E21 -2.800 0 ! ! Zhou (2009) est O+O+M ! !S2+O=SO+S 1.4E11 0.700 -231 ! ! Zhou TST (2009) ! Singleton DL Cvetanovic RJ JPCRD 17:1377 1988 7.0E12 0 0 ! !S2+O2=S2O+O 1.7E04 2.539 34376 ! ! Zhou TST (2009) ! S2+O2=SO+SO 2.3003 2.453 30440! ! Zhou TST (2009) ! S2+S+M=S3+M 1.9E15 0.000 -1788 ! ! Zhou est (2009) ! S2+S2+M=S4+M 1.9E15 0.000 -1788 ! ! Zhou est (2009) ! !S2O+H+M=HSSO+M 6.4E22 -2.591 287 ! ! Zhou (2009) est HSO+M ! S2O+H=OH+S2 1.0E13 0.000 0 ! ! Zhou est (2009) ! !S2O+O=SO+SO 9.3E11 0.000 0 ! ! Singleton DL Cvetanovic RJ JPCRD 17:1377 1988 ! !S2O+OH=S2+HO2 1.0E13 0.000 40000 ! ! Zhou est (2009) ! S2O+S=SO+S2 1.0E13 0.000 0 ! ! Zhou est (2009) ! S2O+SH=HSO+S2 1.0E12 0.000 5000 ! ! Zhou est (2009) ! S2O+SH=HSS+SO 1.0E13 0.000 8000 ! ! Zhou est (2009) ! S2O+SH=S3+OH 1.0E13 0.000 21450 ! ! Zhou est (2009) ! S2O+SO2=S2+SO3 1.0E13 0.000 20000 ! ! Zhou est (2009) ! S2O+HSO2=HSSO+SO2 1.0E13 0.000 32000 ! ! Zhou est (2009) ! !S2O+S2=S3+SO 1.0E14 0.000 18000 ! ! Zhou est (2009) ! S2O+S2O=S3+SO2 1.0E12 0.000 2600 ! ! Zhou est (2009) ! HSSO+H=S2O+H2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+H=HSS+OH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+O=S2O+OH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+O=SH+SO2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+OH=S2O+H2O 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+OH=HSS+HO2 1.0E13 0.000 27000 ! ! Zhou est (2009) ! HSSO+HO2=S2O+H2O2 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+S=HSS+SO 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+S=S2O+SH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+SH=S2O+H2S 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+HSS=S2O+HSSH 1.0E13 0.000 0 ! ! Zhou est (2009) ! HSSO+S2=S2O+HSS 1.0E13 0.000 0 ! ! Zhou est (2009) ! SO2+S(+M)=SSO2(+M) 3.7E12 0.000 1689 ! LOW /2.9E28 -3.58 5206/ ! TROE /0.43 371 7442/ ! N2/1/ SO2/10/ H2O/10/ ! ! est 10 x SO2+O+M ! !SSO2+M=S+SO2+M 1.0E15 0.000 30000 ! ! Zhou est (2009) ! SSO2+H=SH+SO2 1.0E13 0.000 0 ! ! est pw ! SSO2+O=SO+SO2 1.0E13 0.000 0 ! ! est pw ! SSO2+OH=HOS+SO2 1.0E13 0.000 0 ! ! est pw ! SSO2+S=S2+SO2 1.0E13 0.000 0 ! ! Zhou est (2009) ! SO+SO+M=OSSO+M 3.2E32 -5.750 3044 ! ! Zhou TST (2009) ! OSSO+H=OH+S2O 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+H=SO+HSO 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+H=SO+HOS 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+H=HO2+S2 1.0E13 0.000 12570 ! ! Zhou est (2009) ! OSSO+O=SO+SO2 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+O=O2+S2O 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+OH=HO2+S2O 1.0E13 0.000 11350 ! ! Zhou est (2009) ! OSSO+OH=HOSO+SO 1.0E12 0.000 0 ! ! Zhou est (2009) ! OSSO+SO=SO2+S2O 1.0E10 0.000 0 ! ! Zhou est (2009) ! OSSO+S=S2O+SO 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+S=S2+SO2 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+SH=HSO+S2O 1.0E13 0.000 0 ! ! Zhou est (2009) ! OSSO+S2=S2O+S2O 1.0E12 0.000 0 ! ! Zhou est (2009) ! HSSO2+M=SH+SO2+M 1.0E17 0.000 3000 ! ! Zhou est (2009) ! HSSO2=S2O+OH 1.0E13 0.000 33700 ! ! Zhou est (2009) ! H2S2O2+H2O=H2S+VDW1 3.9E05 1.660 3740 ! ! Sendt K Haynes BS J PHYS CHEM A 109 8180-8186 2005 ! H2S2O2+H2O=2H2O+S2O 3.6E05 1.562 14290 ! ! Sendt K Haynes BS J PHYS CHEM A 109 8180-8186 2005 ! H2S2O2+SH=HSSH+HOSO 1.0E13 0.000 8000 ! ! Sendt K Haynes BS J PHYS CHEM A 109 8180-8186 2005 ! S3+H2O=HSSSOH 1.0E14 0.000 25000 ! ! Zhou est (2009) ! S3+S2+M=S5+M 1.9E15 0.000 -1788 ! ! Zhou est (2009) ! S3+S3+M=S6+M 1.9E15 0.000 -1788 ! ! Zhou est (2009) ! S3+S2O=S4+SO 1.0E14 0.000 16000 ! ! Zhou est (2009) ! S3+S4+M=S7+M 1.9E15 0.000 -1788 ! ! Zhou est (2009) ! S4+S4+M=S8+M 1.9E15 0.000 -1788 ! ! Zhou est (2009) ! END !S+O2=SO+O 1.11E12 0 2400 !