637 lines
22 KiB
XML
637 lines
22 KiB
XML
<ctml>
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<validate reactions="yes" species="yes"/>
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<!-- phase ohmech -->
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<phase dim="3" id="ohmech">
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<validation>
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<duplicateReactions>halt</duplicateReactions>
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<thermo>warn</thermo>
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</validation>
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<elementArray datasrc="elements.xml"> O H Ar </elementArray>
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<speciesArray datasrc="#species_data"> H2 H O O2 OH H2O HO2 H2O2 AR </speciesArray>
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<reactionArray datasrc="#reaction_data"/>
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<thermo model="IdealGas"/>
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<kinetics model="GasKinetics"/>
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<transport model="None"/>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_data">
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<!-- species H2 -->
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<species name="H2">
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<atomArray>H:2 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
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-7.376117610E-12, -9.179351730E+02, 6.830102380E-01,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
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2.002553760E-14, -9.501589220E+02, -3.205023310E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">linear</string>
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<LJ_welldepth units="K"> 38.000</LJ_welldepth>
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<LJ_diameter units="A"> 2.920</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.790</polarizability>
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<rotRelax> 280.000</rotRelax>
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</transport>
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</species>
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<!-- species H -->
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<species name="H">
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<atomArray>H:1 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18,
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-9.277323320E-22, 2.547365990E+04, -4.466828530E-01,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18,
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4.981973570E-22, 2.547365990E+04, -4.466829140E-01,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">atom</string>
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<LJ_welldepth units="K"> 145.000</LJ_welldepth>
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<LJ_diameter units="A"> 2.050</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 0.000</rotRelax>
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</transport>
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</species>
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<!-- species O -->
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<species name="O">
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<atomArray>O:1 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09,
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2.112659710E-12, 2.912225920E+04, 2.051933460E+00,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11,
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1.228336910E-15, 2.921757910E+04, 4.784338640E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">atom</string>
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<LJ_welldepth units="K"> 80.000</LJ_welldepth>
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<LJ_diameter units="A"> 2.750</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 0.000</rotRelax>
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</transport>
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</species>
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<!-- species O2 -->
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<species name="O2">
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<atomArray>O:2 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09,
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3.243728370E-12, -1.063943560E+03, 3.657675730E+00,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10,
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-2.167177940E-14, -1.088457720E+03, 5.453231290E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">linear</string>
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<LJ_welldepth units="K"> 107.400</LJ_welldepth>
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<LJ_diameter units="A"> 3.460</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 1.600</polarizability>
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<rotRelax> 3.800</rotRelax>
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</transport>
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</species>
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<!-- species OH -->
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<species name="OH">
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<atomArray>H:1 O:1 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09,
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1.364114700E-12, 3.615080560E+03, -1.039254580E-01,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11,
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1.174123760E-14, 3.858657000E+03, 4.476696100E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">linear</string>
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<LJ_welldepth units="K"> 80.000</LJ_welldepth>
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<LJ_diameter units="A"> 2.750</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 0.000</rotRelax>
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</transport>
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</species>
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<!-- species H2O -->
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<species name="H2O">
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<atomArray>H:2 O:1 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
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1.771978170E-12, -3.029372670E+04, -8.490322080E-01,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
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1.682009920E-14, -3.000429710E+04, 4.966770100E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">nonlinear</string>
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<LJ_welldepth units="K"> 572.400</LJ_welldepth>
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<LJ_diameter units="A"> 2.600</LJ_diameter>
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<dipoleMoment units="Debye"> 1.840</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 4.000</rotRelax>
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</transport>
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</species>
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<!-- species HO2 -->
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<species name="HO2">
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<atomArray>H:1 O:2 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08,
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9.292251240E-12, 2.948080400E+02, 3.716662450E+00,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10,
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-1.079085350E-14, 1.118567130E+02, 3.785102150E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">nonlinear</string>
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<LJ_welldepth units="K"> 107.400</LJ_welldepth>
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<LJ_diameter units="A"> 3.460</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 1.000</rotRelax>
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</transport>
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</species>
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<!-- species H2O2 -->
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<species name="H2O2">
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<atomArray>H:2 O:2 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
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<floatArray name="coeffs" size="7">
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4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08,
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8.624543630E-12, -1.770258210E+04, 3.435050740E+00,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10,
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-2.879083050E-14, -1.786178770E+04, 2.916156620E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">nonlinear</string>
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<LJ_welldepth units="K"> 107.400</LJ_welldepth>
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<LJ_diameter units="A"> 3.460</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 3.800</rotRelax>
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</transport>
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</species>
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<!-- species AR -->
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<species name="AR">
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<atomArray>Ar:1 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
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<floatArray name="coeffs" size="7">
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2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, 4.366000000E+00,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="5000.0" Tmin="1000.0">
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<floatArray name="coeffs" size="7">
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2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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0.000000000E+00, -7.453750000E+02, 4.366000000E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">atom</string>
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<LJ_welldepth units="K"> 136.500</LJ_welldepth>
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<LJ_diameter units="A"> 3.330</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 0.000</rotRelax>
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</transport>
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</species>
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</speciesData>
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<reactionData id="reaction_data">
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<!-- reaction 0001 -->
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<reaction id="0001" reversible="yes" type="threeBody">
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<equation>2 O + M [=] O2 + M</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm6/mol2/s"> 1.200000E+17</A>
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<b>-1</b>
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<E units="cal/mol">0.000000</E>
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</Arrhenius>
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<efficiencies default="1.0"> AR:0.83 H2:2.4 H2O:15.4 </efficiencies>
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</rateCoeff>
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<reactants>O:2</reactants>
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<products>O2:1</products>
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</reaction>
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<!-- reaction 0002 -->
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<reaction id="0002" reversible="yes" type="threeBody">
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<equation>O + H + M [=] OH + M</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm6/mol2/s"> 5.000000E+17</A>
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<b>-1</b>
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<E units="cal/mol">0.000000</E>
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</Arrhenius>
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<efficiencies default="1.0"> AR:0.7 H2:2 H2O:6 </efficiencies>
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</rateCoeff>
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<reactants>H:1 O:1</reactants>
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<products>OH:1</products>
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</reaction>
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<!-- reaction 0003 -->
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<reaction id="0003" reversible="yes">
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<equation>O + H2 [=] H + OH</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm3/mol/s"> 3.870000E+04</A>
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<b>2.7000000000000002</b>
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<E units="cal/mol">6260.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>H2:1 O:1</reactants>
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<products>H:1 OH:1</products>
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</reaction>
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<!-- reaction 0004 -->
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<reaction id="0004" reversible="yes">
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<equation>O + HO2 [=] OH + O2</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm3/mol/s"> 2.000000E+13</A>
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<b>0</b>
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<E units="cal/mol">0.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>HO2:1 O:1</reactants>
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<products>O2:1 OH:1</products>
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</reaction>
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<!-- reaction 0005 -->
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<reaction id="0005" reversible="yes">
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<equation>O + H2O2 [=] OH + HO2</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm3/mol/s"> 9.630000E+06</A>
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<b>2</b>
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<E units="cal/mol">4000.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>H2O2:1 O:1</reactants>
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<products>HO2:1 OH:1</products>
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</reaction>
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<!-- reaction 0006 -->
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<reaction id="0006" reversible="yes">
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<equation>H + 2 O2 [=] HO2 + O2</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm6/mol2/s"> 2.080000E+19</A>
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<b>-1.24</b>
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<E units="cal/mol">0.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>H:1 O2:2</reactants>
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<products>HO2:1 O2:1</products>
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</reaction>
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<!-- reaction 0007 -->
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<reaction id="0007" reversible="yes">
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<equation>H + O2 + H2O [=] HO2 + H2O</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm6/mol2/s"> 1.126000E+19</A>
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<b>-0.76000000000000001</b>
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<E units="cal/mol">0.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>H:1 H2O:1 O2:1</reactants>
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<products>H2O:1 HO2:1</products>
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</reaction>
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<!-- reaction 0008 -->
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<reaction id="0008" reversible="yes">
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<equation>H + O2 + AR [=] HO2 + AR</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm6/mol2/s"> 7.000000E+17</A>
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<b>-0.80000000000000004</b>
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<E units="cal/mol">0.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>H:1 AR:1 O2:1</reactants>
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<products>AR:1 HO2:1</products>
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</reaction>
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<!-- reaction 0009 -->
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<reaction id="0009" reversible="yes">
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<equation>H + O2 [=] O + OH</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm3/mol/s"> 2.650000E+16</A>
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<b>-0.67069999999999996</b>
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<E units="cal/mol">17041.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>H:1 O2:1</reactants>
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<products>O:1 OH:1</products>
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</reaction>
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<!-- reaction 0010 -->
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<reaction id="0010" reversible="yes" type="threeBody">
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<equation>2 H + M [=] H2 + M</equation>
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<rateCoeff>
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<Arrhenius>
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<A units="cm6/mol2/s"> 1.000000E+18</A>
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<b>-1</b>
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<E units="cal/mol">0.000000</E>
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</Arrhenius>
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<efficiencies default="1.0"> AR:0.63 H2:0 H2O:0 </efficiencies>
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</rateCoeff>
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<reactants>H:2</reactants>
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<products>H2:1</products>
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</reaction>
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<!-- reaction 0011 -->
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<reaction id="0011" reversible="yes">
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<equation>2 H + H2 [=] 2 H2</equation>
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<rateCoeff>
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<Arrhenius>
|
|
<A units="cm6/mol2/s"> 9.000000E+16</A>
|
|
<b>-0.59999999999999998</b>
|
|
<E units="cal/mol">0.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H2:1 H:2</reactants>
|
|
<products>H2:2</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0012 -->
|
|
<reaction id="0012" reversible="yes">
|
|
<equation>2 H + H2O [=] H2 + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm6/mol2/s"> 6.000000E+19</A>
|
|
<b>-1.25</b>
|
|
<E units="cal/mol">0.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H:2 H2O:1</reactants>
|
|
<products>H2:1 H2O:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0013 -->
|
|
<reaction id="0013" reversible="yes" type="threeBody">
|
|
<equation>H + OH + M [=] H2O + M</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm6/mol2/s"> 2.200000E+22</A>
|
|
<b>-2</b>
|
|
<E units="cal/mol">0.000000</E>
|
|
</Arrhenius>
|
|
<efficiencies default="1.0"> AR:0.38 H2:0.73 H2O:3.65 </efficiencies>
|
|
</rateCoeff>
|
|
<reactants>H:1 OH:1</reactants>
|
|
<products>H2O:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0014 -->
|
|
<reaction id="0014" reversible="yes">
|
|
<equation>H + HO2 [=] O + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 3.970000E+12</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">671.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H:1 HO2:1</reactants>
|
|
<products>H2O:1 O:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0015 -->
|
|
<reaction id="0015" reversible="yes">
|
|
<equation>H + HO2 [=] O2 + H2</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 4.480000E+13</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">1068.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H:1 HO2:1</reactants>
|
|
<products>H2:1 O2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0016 -->
|
|
<reaction id="0016" reversible="yes">
|
|
<equation>H + HO2 [=] 2 OH</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 8.400000E+13</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">635.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H:1 HO2:1</reactants>
|
|
<products>OH:2</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0017 -->
|
|
<reaction id="0017" reversible="yes">
|
|
<equation>H + H2O2 [=] HO2 + H2</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 1.210000E+07</A>
|
|
<b>2</b>
|
|
<E units="cal/mol">5200.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H:1 H2O2:1</reactants>
|
|
<products>H2:1 HO2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0018 -->
|
|
<reaction id="0018" reversible="yes">
|
|
<equation>H + H2O2 [=] OH + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 1.000000E+13</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">3600.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H:1 H2O2:1</reactants>
|
|
<products>H2O:1 OH:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0019 -->
|
|
<reaction id="0019" reversible="yes">
|
|
<equation>OH + H2 [=] H + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 2.160000E+08</A>
|
|
<b>1.51</b>
|
|
<E units="cal/mol">3430.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H2:1 OH:1</reactants>
|
|
<products>H:1 H2O:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0020 -->
|
|
<reaction id="0020" reversible="yes" type="falloff">
|
|
<equation>2 OH (+ M) [=] H2O2 (+ M)</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 7.400000E+13</A>
|
|
<b>-0.37</b>
|
|
<E units="cal/mol">0.000000</E>
|
|
</Arrhenius>
|
|
<Arrhenius name="k0">
|
|
<A units="cm6/mol2/s"> 2.300000E+18</A>
|
|
<b>-0.90000000000000002</b>
|
|
<E units="cal/mol">-1700.000000</E>
|
|
</Arrhenius>
|
|
<efficiencies default="1.0"> AR:0.7 H2:2 H2O:6 </efficiencies>
|
|
<falloff type="Troe">0.7346 94 1756 5182 </falloff>
|
|
</rateCoeff>
|
|
<reactants>OH:2</reactants>
|
|
<products>H2O2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0021 -->
|
|
<reaction id="0021" reversible="yes">
|
|
<equation>2 OH [=] O + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 3.570000E+04</A>
|
|
<b>2.3999999999999999</b>
|
|
<E units="cal/mol">-2110.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>OH:2</reactants>
|
|
<products>H2O:1 O:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0022 -->
|
|
<reaction duplicate="yes" id="0022" reversible="yes">
|
|
<equation>OH + HO2 [=] O2 + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 1.450000E+13</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">-500.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>HO2:1 OH:1</reactants>
|
|
<products>H2O:1 O2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0023 -->
|
|
<reaction duplicate="yes" id="0023" reversible="yes">
|
|
<equation>OH + H2O2 [=] HO2 + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 2.000000E+12</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">427.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H2O2:1 OH:1</reactants>
|
|
<products>H2O:1 HO2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0024 -->
|
|
<reaction duplicate="yes" id="0024" reversible="yes">
|
|
<equation>OH + H2O2 [=] HO2 + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 1.700000E+18</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">29410.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>H2O2:1 OH:1</reactants>
|
|
<products>H2O:1 HO2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0025 -->
|
|
<reaction duplicate="yes" id="0025" reversible="yes">
|
|
<equation>2 HO2 [=] O2 + H2O2</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 1.300000E+11</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">-1630.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>HO2:2</reactants>
|
|
<products>O2:1 H2O2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0026 -->
|
|
<reaction duplicate="yes" id="0026" reversible="yes">
|
|
<equation>2 HO2 [=] O2 + H2O2</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 4.200000E+14</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">12000.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>HO2:2</reactants>
|
|
<products>O2:1 H2O2:1</products>
|
|
</reaction>
|
|
|
|
<!-- reaction 0027 -->
|
|
<reaction duplicate="yes" id="0027" reversible="yes">
|
|
<equation>OH + HO2 [=] O2 + H2O</equation>
|
|
<rateCoeff>
|
|
<Arrhenius>
|
|
<A units="cm3/mol/s"> 5.000000E+15</A>
|
|
<b>0</b>
|
|
<E units="cal/mol">17330.000000</E>
|
|
</Arrhenius>
|
|
</rateCoeff>
|
|
<reactants>HO2:1 OH:1</reactants>
|
|
<products>H2O:1 O2:1</products>
|
|
</reaction>
|
|
</reactionData>
|
|
</ctml>
|