! H2 mechanism ! Developed by N. Zettervall, FOI, Sweden, 2017-02-15 ! Vincent-Randonnier, A., Sabelnikov, V., Ristori, A., Zettervall, N., & Fureby, C. (2018). ! A combined experimental and computational study of the LAPCAT II supersonic combustor. ! In 22nd AIAA international space planes and hypersonics systems and technologies conference (p. 5208). ELEM H O C N END SPECIES O2 N2 H2O H O OH HO2 H2 H2O2 END THERMO ALL 200.000 1000.000 5000.000 O2 O 2 G200.000 3500.000 1000.000 1 3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14 2 -1.08845772E+03 5.45323129E+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 G300.000 5000.000 1000.000 1 2.92664000E+00 1.48797680E-03-5.68476000E-07 1.00970380E-10-6.75335100E-15 2 -9.22797700E+02 5.98052800E+00 3.29867700E+00 1.40824040E-03-3.96322200E-06 3 5.64151500E-09-2.44485400E-12-1.02089990E+03 3.95037200E+00 4 H2O H 2O 1 G200.000 3500.000 1000.000 1 3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14 2 -3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06 3 -5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01 4 H H 1 G200.000 3500.000 1000.000 1 2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22 2 2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15 3 2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01 4 O O 1 G200.000 3500.000 1000.000 1 2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15 2 2.92175791E+04 4.78433864E+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 3500.000 1000.000 1 3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14 2 3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06 3 -3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01 4 HO2 H 1O 2 G200.000 3500.000 1000.000 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 4 H2 H 2 G200.000 3500.000 1000.000 1 3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14 2 -9.50158922E+02-3.20502331E+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 3500.000 1000.000 1 4.16500285E+00 4.90831694E-03-1.90139225E-06 3.71185986E-10-2.87908305E-14 2 -1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05 3 -2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+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 245000000000000.03 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 150000000000000.03 0.0 1004.0 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 34500.0 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 3.460 0.000 1.600 3.800 N2 1 97.530 3.620 0.000 1.760 4.000 H2O 2 572.400 2.600 1.840 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 3.460 0.000 0.000 1.000 H2 1 38.000 2.920 0.000 0.790 280.000 H2O2 2 107.400 3.460 0.000 0.000 3.800 END