CH3 + O2 -> O + CH3O

SOURCE:

The initial rate coefficient was a consensus expression based upon results reported by

Saito, K., Ito, R., Kakumoto, T., and Imamura, A. (1986) J. Phys. Chem. 90, 1422.

Klatt, M., Rohrig, M., and Wagner, H.Gg. (1991) Ber. Bunsenges. Phys. Chem. 95, 1163.

Hsu, D.S.Y., Shaub, W.M., Creamer, T., Gutman, D., and Lin, M.C. (1983) Ber. Bunsenges. Phys. Chem. 87, 909.

Yu, C.-L., Wang, C., and Frenklach, M. (1995) J. Phys. Chem. 99, 14377.

The rate coefficient then served as an optimization variable in GRI-Mech 1.1, 1.2, and 2.1 releases. As a result of the 1.2 optimization round, the preexponential factor was lowered by 11% from the initially assigned expression, and remained the same after the 2.1 optimization round.

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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        -2.3        28.3    2.80E-08    3.93E+13    7.11E-22
     500        -3.0        28.1    6.90E+00    5.84E+13    1.18E-13
    1000        -2.8        28.3    1.36E+07    8.34E+13    1.63E-07
    1500        -2.2        29.0    1.70E+09    8.66E+13    1.97E-05
    2000        -1.8        29.7    1.91E+10    8.30E+13    2.30E-04
    2500        -1.4        30.6    8.12E+10    7.76E+13    1.05E-03
    3000        -1.1        31.3    2.13E+11    7.22E+13    2.96E-03
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