H + O2 -> O + OH

k = 2.65E+16 T^(-.6707) exp(-17041 cal/mol /RT) cm3/mol s

SOURCE:

Yu, C.-L., Frenklach, M., Masten, D.A., Hanson, R.K., Bowman, C.T. (1994) J. Phys. Chem. 98, 4770.

COMMENTS:

Served as an optimization variable in the GRI-Mech 1.1, 1.2, 2.1, and 3.0 optimizations. This rate coefficient has the largest sensitivity of all of the reactions, but each optimization returned a value within a few percent of the literature one. Hence, in all versions of GRI-Mech this rate coefficient was fixed at the best literature expression available at the time. The Versions 1.2 and 2.1 expression was obtained by re-analyzing shock-tube data taken at Stanford and PennState Universities in a simultaneous optimization procedure. (Cf. the Yu et al. reference cited above.) The rate coefficient expression reported by Ryu, S.-O., Hwang, S.M., and Rabinowitz, M.J. (1995) J. Phys. Chem. 99, 13984 is nearly indistinguishable from the present one.

A revised expression was adopted for version 3.0 to take into account the somewhat lower rate constants of Pirraglia et al. (1989), and the much lower room temperature values for the reverse reaction from DeMore et al (1994). Heavily weighted points from Yu et al. (1994) represent the data at 1700-2500K.

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    Temp      delta-S     delta-H      kf          kr         Keq
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----
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     300         6.0        16.9    2.23E+02    2.10E+13    1.06E-11
     500         6.0        16.9    1.46E+07    1.68E+13    8.69E-07
    1000         5.5        16.5    4.86E+10    1.22E+13    3.98E-03
    1500         5.1        16.0    6.46E+11    1.06E+13    6.12E-02
    2000         4.9        15.6    2.22E+12    9.62E+12    2.31E-01
    2500         4.8        15.3    4.51E+12    8.96E+12    5.04E-01
    3000         4.6        15.0    7.08E+12    8.45E+12    8.37E-01
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