! Connaire, M. O., Curran, H J., Simmie, J. M., Pitz, W. J. and Westbrook, C.K., ! "A Comprehensive Modeling Study of Hydrogen Oxidation", ! International Journal of Chemical Kinetics, 36:603-622, 2004: UCRL-JC-152569. ! UCRL-WEB-208393 ! Review and release date: December 3, 2004. ! 19/11/04 version 1b: WJP: eliminated efficiences for co, co and hydrocarbon ! species. These caused errors for the Chemkin interpreter ! 16/04/04 version 1a ! ELEMENTS H C O N AR END SPECIES H H2 O O2 OH H2O N2 HO2 H2O2 AR END REACTIONS CAL/MOLE H+O2 = O+OH 1.915E+14 0.00 1.644E+04 REV / 5.481E+11 0.39 -2.930E+02 / O+H2 = H+OH 5.080E+04 2.67 6.292E+03 REV / 2.667E+04 2.65 4.880E+03 / OH+H2 = H+H2O 2.160E+08 1.51 3.430E+03 REV / 2.298E+09 1.40 1.832E+04 / O+H2O = OH+OH 2.970E+06 2.02 1.340E+04 REV / 1.465E+05 2.11 -2.904E+03 / H2+M = H+H+M 4.577E+19 -1.40 1.044E+05 REV / 1.146E+20 -1.68 8.200E+02 / H2/2.5/ H2O/12.0/ O2+M = O+O+M 4.515E+17 -0.64 1.189E+05 REV / 6.165E+15 -0.50 0.000E+00 / H2/2.5/ H2O/12.0/ AR/0.83/ OH+M = O+H+M 9.880E+17 -0.74 1.021E+05 REV / 4.714E+18 -1.00 0.000E+00 / H2/2.5/ H2O/12.0/ AR/0.75/ H2O+M = H+OH+M 1.912E+23 -1.83 1.185E+05 REV / 4.500E+22 -2.00 0.000E+00 / H2/0.73/ H2O/12.0/ AR/0.38/ H+O2(+M) = HO2(+M) 1.475E+12 0.60 0.000E+00 ! REV / 3.090E+12 0.53 4.887E+04 / LOW / 3.4820E+16 -4.1100E-01 -1.1150E+03 / TROE/0.5 1.0000E-30 1.0000E+30 1.0000E+100 / H2/1.3/ H2O/14.0/ AR/0.67/ HO2+H = H2+O2 1.660E+13 0.00 8.230E+02 REV / 3.164E+12 0.35 5.551E+04 / HO2+H = OH+OH 7.079E+13 0.00 2.950E+02 REV / 2.027E+10 0.72 3.684E+04 / HO2+O = OH+O2 3.250E+13 0.00 0.000E+00 REV / 3.252E+12 0.33 5.328E+04 / HO2+OH = H2O+O2 2.890E+13 0.00 -4.970E+02 REV / 5.861E+13 0.24 6.908E+04 / H2O2+O2 = HO2+HO2 4.634E+16 -0.35 5.067E+04 REV / 4.200E+14 0.00 1.198E+04 / DUPLICATE H2O2+O2 = HO2+HO2 1.434E+13 -0.35 3.706E+04 REV / 1.300E+11 0.00 -1.629E+03 / DUPLICATE H2O2(+M) = OH+OH(+M) 2.951E+14 0.00 4.843E+04 ! REV / 3.656E+08 1.14 -2.584E+03 / LOW / 1.202E+17 0.00 45500. / TROE /0.5 1.0E-30 1.0E+30 1.0E+100/ H2/2.5/ H2O/12.0/ AR/0.64/ H2O2+H = H2O+OH 2.410E+13 0.00 3.970E+03 REV / 1.269E+08 1.31 7.141E+04 / H2O2+H = H2+HO2 6.025E+13 0.00 7.950E+03 REV / 1.041E+11 0.70 2.395E+04 / H2O2+O = OH+HO2 9.550E+06 2.00 3.970E+03 REV / 8.660E+03 2.68 1.856E+04 / H2O2+OH = H2O+HO2 1.000E+12 0.00 0.000E+00 REV / 1.838E+10 0.59 3.089E+04 / DUPLICATE H2O2+OH = H2O+HO2 5.800E+14 0.00 9.557E+03 REV / 1.066E+13 0.59 4.045E+04 / DUPLICATE END