! H2 mechanism ! Developed by N. Zettervall, FOI, Sweden, 2021-02-04 ! FOI Report No: FOI-D--1153--SE ELEM H O C N END SPECIES O2 ! REFELEMENTRUS89 N2 ! REFELEMENTG8/02 H2O H O OH ! HYDROXYLRADIIU3/03 HO2 H2 ! REFELEMENTtpis78 H2O2 END THERMO ALL 200.000 1000.000 6000.000 O2 O 2 G200.000 6000.000 1000.000 1 3.66096065E+00 6.56365811E-04-1.41149627E-07 2.05797935E-11-1.29913436E-15 2 -1.21597718E+03 3.41536279E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3 -9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 4 N2 N 2 G200.000 6000.000 1000.000 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 4 H2O H 2O 1 G200.000 6000.000 1000.000 1 2.67703890E+00 2.97318160E-03-7.73768890E-07 9.44335140E-11-4.26899910E-15 2 -2.98858940E+04 6.88255000E+00 4.19863520E+00-2.03640170E-03 6.52034160E-06 3 -5.48792690E-09 1.77196800E-12-3.02937260E+04-8.49009010E-01 4 H H 1 G200.000 6000.000 1000.000 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.54736600E+04-4.46682850E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.54736600E+04-4.46682850E-01 4 O O 1 G200.000 6000.000 1000.000 1 2.54363697E+00-2.73162486E-05-4.19029520E-09 4.95481845E-12-4.79553694E-16 2 2.92260120E+04 4.92229457E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3 -6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 4 OH H 1O 1 G200.000 6000.000 1000.000 1 2.83853033E+00 1.10741289E-03-2.94000209E-07 4.20698729E-11-2.42289890E-15 2 3.69780808E+03 5.84494652E+00 3.99198424E+00-2.40106655E-03 4.61664033E-06 3 -3.87916306E-09 1.36319502E-12 3.36889836E+03-1.03998477E-01 4 HO2 H 1O 2 G200.000 5000.000 1000.000 1 4.17228741E+00 1.88117627E-03-3.46277286E-07 1.94657549E-11 1.76256905E-16 2 3.10206839E+01 2.95767672E+00 4.30179807E+00-4.74912097E-03 2.11582905E-05 3 -2.42763914E-08 9.29225225E-12 2.64018485E+02 3.71666220E+00 4 H2 H 2 G200.000 6000.000 1000.000 1 2.93286575E+00 8.26608026E-04-1.46402364E-07 1.54100414E-11-6.88804800E-16 2 -8.13065581E+02-1.02432865E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 4 H2O2 H 2O 2 G200.000 6000.000 1000.000 1 4.57977305E+00 4.05326003E-03-1.29844730E-06 1.98211400E-10-1.13968792E-14 2 -1.80071775E+04 6.64970694E-01 4.31515149E+00-8.47390622E-04 1.76404323E-05 3 -2.26762944E-08 9.08950158E-12-1.77067437E+04 3.27373319E+00 4 END REACTIONS CAL/MOLE MOLE H2 + O2 => H + HO2 740000.0000000001 2.43 53500.0 H2 + M => 2 H + M 4.570000000000001e+19 -1.4 105100.0 H/1.000E+00/ H2/2.500E+00/ H2O/1.200E+01/ H2O2/1.000E+00/ HO2/1.000E+00/ N2/1.000E+00/ O/1.000E+00/ O2/1.000E+00/ OH/1.000E+00/ H2 + HO2 => H + H2O2 3000000.0000000005 2.0 21000.0 H + O2 => O + OH 180000000000000.03 0.0 16800.0 O + OH => H + O2 12000000000000.002 0.0 690.0 H2 + O => H + OH 18000000000.000004 1.0 8826.0 H + OH => H2 + O 8000000000.000001 1.0 6760.0 H2 + OH => H + H2O 1170000000.0000002 1.3 3626.0 H + H2O => H2 + OH 5090000000.000001 1.3 18588.0 2 OH => H2O + O 600000000.0000001 1.3 0.0 H2O + O => 2 OH 5900000000.000001 1.3 17029.000000000004 H + O2 + M => HO2 + M 1.8000000000000003e+18 -0.8 0.0 H2/1.000E+00/ H2O/6.500E+00/ N2/4.000E-01/ O2/4.000E-01/ H + HO2 => 2 OH 40000000000000.01 0.0 0.0 H + HO2 => H2 + O2 25000000000000.004 0.0 699.9999999999999 HO2 + OH => H2O + O2 20000000000000.004 0.0 1000.0 2 HO2 => H2O2 + O2 80000000000000.02 0.0 0.0 H2O2 + M => 2 OH + M 1.3000000000000002e+17 0.0 45500.0 H2O2 + N2 => 2 OH + N2 130000000000000.02 0.0 45500.0 PLOG /0.9999999999999999 130000000000000.02 0.0 34500.0/ PLOG /4.999999999999996 130000000000000.02 0.0 34500.0/ PLOG /9.999999999999991 130000000000000.02 0.0 42500.0/ PLOG /30.000000000000014 130000000000000.02 0.0 45500.0/ H2O2 + O2 => 2 OH + O2 130000000000000.02 0.0 45500.0 PLOG /0.9999999999999999 130000000000000.02 0.0 34500.0/ PLOG /4.999999999999996 130000000000000.02 0.0 34500.0/ PLOG /9.999999999999991 130000000000000.02 0.0 42500.0/ PLOG /30.000000000000014 130000000000000.02 0.0 45500.0/ 2 OH + M => H2O2 + M 986000000000000.2 0.0 -5070.0 H2O2 + OH => H2O + HO2 10000000000000.002 0.0 1800.0 H2O + HO2 => H2O2 + OH 28600000000000.004 0.0 32790.0 H + OH + M => H2O + M 2.2000000000000004e+22 -2.0 0.0 2 H + M => H2 + M 1.8000000000000003e+18 -1.0 0.0 END TRANSPORT O2 1 107.400 3.458 0.000 1.600 3.800 N2 1 97.530 3.621 0.000 1.760 4.000 H2O 2 572.400 2.605 1.844 0.000 4.000 H 0 145.000 2.050 0.000 0.000 0.000 O 0 80.000 2.750 0.000 0.000 0.000 OH 1 80.000 2.750 0.000 0.000 0.000 HO2 2 107.400 3.458 0.000 0.000 1.000 H2 1 38.000 2.920 0.000 0.790 280.000 H2O2 2 107.400 3.458 0.000 0.000 3.800 END