61 lines
3.7 KiB
Text
61 lines
3.7 KiB
Text
ELEMENTS H O PT END
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SPECIES
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H H2 H2O H2O2 HO2 O O2 OH
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END
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THERMO
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300.0 1000.0 3500.0
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H 120186H 1 G 0300.00 5000.00 1000.00 1
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0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
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0.02547162E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
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0.00000000E+00 0.00000000E+00 0.02547162E+06-0.04601176E+01 4
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H2 121286H 2 G 0300.00 5000.00 1000.00 1
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0.02991423E+02 0.07000644E-02-0.05633828E-06-0.09231578E-10 0.15827519E-14 2
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-0.08350340E+04-0.13551101E+01 0.03298124E+02 0.08249441E-02-0.08143015E-05 3
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-0.09475434E-09 0.04134872E-11-0.10125209E+04-0.03294094E+02 4
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H2O 20387H 2O 1 G 0300.00 5000.00 1000.00 1
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0.02672145E+02 0.03056293E-01-0.08730260E-05 0.12009964E-09-0.06391618E-13 2
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-0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 3
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0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590232E+02 4
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H2O2 120186H 2O 2 G 0300.00 5000.00 1000.00 1
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0.04573167E+02 0.04336136E-01-0.14746888E-05 0.02348903E-08-0.14316536E-13 2
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-0.01800696E+06 0.05011369E+01 0.03388753E+02 0.06569226E-01-0.14850125E-06 3
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-0.04625805E-07 0.02471514E-10-0.01766314E+06 0.06785363E+02 4
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HO2 20387H 1O 2 G 0300.00 5000.00 1000.00 1
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0.04072191E+02 0.02131296E-01-0.05308145E-05 0.06112269E-09-0.02841164E-13 2
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-0.15797270E+03 0.03476029E+02 0.02979963E+02 0.04996697E-01-0.03790997E-04 3
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0.02354192E-07-0.08089024E-11 0.01762273E+04 0.09222724E+02 4
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O 120186O 1 G 0300.00 5000.00 1000.00 1
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0.02542059E+02-0.02755061E-03-0.03102803E-07 0.04551067E-10-0.04368051E-14 2
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0.02923080E+06 0.04920308E+02 0.02946428E+02-0.16381665E-02 0.02421031E-04 3
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-0.16028431E-08 0.03890696E-11 0.02914764E+06 0.02963995E+02 4
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O2 121386O 2 G 0300.00 5000.00 1000.00 1
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0.03697578E+02 0.06135197E-02-0.12588420E-06 0.01775281E-09-0.11364354E-14 2
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-0.12339301E+04 0.03189165E+02 0.03212936E+02 0.11274864E-02-0.05756150E-05 3
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0.13138773E-08-0.08768554E-11-0.10052490E+04 0.06034737E+02 4
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OH 121286O 1H 1 G 0300.00 5000.00 1000.00 1
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0.02882730E+02 0.10139743E-02-0.02276877E-05 0.02174683E-09-0.05126305E-14 2
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0.03886888E+05 0.05595712E+02 0.03637266E+02 0.01850910E-02-0.16761646E-05 3
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0.02387202E-07-0.08431442E-11 0.03606781E+05 0.13588605E+01 4
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END
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REACTIONS KJOULES/MOLE
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O2 + H <=> OH + O 9.756E+13 0.000 62.100
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OH + H2 <=> H2O + H 1.000E+08 1.600 13.800
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O2 + H +M <=> HO2 +M 2.100E+18 -0.800 0.000
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H2 / 1. / H2O / 6.5 / O2 / 0.4 /
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HO2 + H <=> OH + OH 1.500E+14 0.000 3.800
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HO2 + H <=> O2 + H2 3.000E+13 0.000 4.000
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HO2 + H <=> O + H2O 3.000E+13 0.000 7.200
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OH + HO2 <=> O2 + H2O 6.000E+13 0.000 0.000
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HO2 + HO2 <=> O2 + H2O2 4.220E+14 0.000 50.140
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DUPLICATE
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HO2 + HO2 <=> O2 + H2O2 1.320E+11 0.000 -6.820
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DUPLICATE
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OH + OH (+M) <=> H2O2 (+M) 7.230E+19 -0.370 0.000
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LOW / 5.530E+13 -0.760 0.000 /
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TROE / 0.5 0. 0. /
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H2 / 1. / H2O / 6.5 / O2 / 0.4 /
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OH + H2O2 <=> HO2 + H2O 5.400E+12 0.000 4.200
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END
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