CH3 + O2 -> OH + CH2O

SOURCE:

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

COMMENTS:

An expression from Fraatz, W., Dissertation, Universitat Geottingen (1992) was used for GRI-Mech 1.1, 1.2, and 2.11. It served as an optimization variable in GRI-Mech 1.1, 1.2, and 2.1 releases. The rate coefficient, 3.60E+10 exp(-8940 cal/mol /RT) cm3/mol s, was not changed.

The expression from Yu et al (1995) was used for GRI-Mech 3.0, and served as an optimization variable and was constrained not to exceed that for the other branch, k(155). It was multiplied by a factor of 1.25 in the optimization.

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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          .8       -51.7    3.67E-03    5.73E-41    6.40E+37
     500          .4       -51.8    3.05E+03    5.59E-20    5.45E+22
    1000          .1       -52.0    8.39E+07    3.40E-04    2.47E+11
    1500         0.0       -52.1    2.53E+09    6.38E+01    3.97E+07
    2000         0.0       -52.2    1.39E+10    2.78E+04    5.00E+05
    2500         -.1       -52.3    3.87E+10    1.07E+06    3.60E+04
    3000         -.1       -52.5    7.65E+10    1.23E+07    6.21E+03
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