H + O2 -> O + OH

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, and 2.1 optimizations. This rate coefficient has the largest sensitivity of all, 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.

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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    2.63E+03    2.49E+14    1.06E-11
     500         6.0        16.9    4.16E+07    4.79E+13    8.69E-07
    1000         5.5        16.5    5.88E+10    1.48E+13    3.98E-03
    1500         5.1        16.0    6.59E+11    1.08E+13    6.12E-02
    2000         4.9        15.6    2.21E+12    9.56E+12    2.31E-01
    2500         4.8        15.3    4.56E+12    9.06E+12    5.04E-01
    3000         4.6        15.0    7.40E+12    8.84E+12    8.37E-01
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