OH + CH3 -> CH2(S) + H2O

SOURCE:

The parameters represent the results of a 5-channel RRKM calculation on the CH3OH system.

The choice for the GRI-Mech 3.0 rate coefficient is a compromise fit to the conflicting low pressure data of Hughes et al. (1992), Hack et al. (1988), Staker et al. (1975), which favor a higher value, and of Oser et al. (1992) and Bott and Cohen (1991) (at 1200 K) which favor a lower value. The revised expression for version 3.0 is closer to the higher values, in accord with the results of the GRI-Mech 1.2 optimization. Served as an optimization variable in all hydrocarbon mechanism optimization rounds. The expression for GRI-Mech 3.0 was not changed in the optimization.

COMMENTS:

Served as an optimization variable for versions 1.1, 1.2, and 3.0. The rate coefficient was not altered from its new initial value in GRI-Mech 3.0.

REFERENCES:

Hughes et al. (1992)

Hughes, K.J., Pereira, A.R., and Pilling, M.J. (1992) Ber. Bunsenges. Phys. Chem. 96, 1352.

Hack et al. (1988)

Hack, W., Wagner, H.Gg., and Wilms, A. (1988) Ber. Bunsenges. Phys. Chem. 92, 620.

Staker et al. (1991)

Staker, W.S., King, K.D., Gutsche, G.J., and Lawrence, W.D. (1991) J. Chem. Soc. Farad. Trans. 87, 2421.

Oser et al. (1992)

Oser, H., Stothard, N.D., Humpfer, R., and Grotheer, H.H. (1992) J. Phys. Chem. 96, 5359.

Bott and Cohen (1991)

Bott, J.F., and Cohen, N. (1991) Int. J. Chem. Kinet. 23, 1017.

Anastasi et al. (1991)

Anastasi, C., Beverton, S., Ellermann, T., and Pagsberg, P. (1991) J. Chem. Soc. Farad. Trans. 87, 2325.

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    Temp      delta-S     delta-H      kf          kr         Keq
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   
______________________________________________________________________

     300          .1          .4    2.87E+13    5.73E+13    5.00E-01
     500         -.2          .3    3.74E+13    5.72E+13    6.54E-01
    1000         -.8         -.1    3.01E+13    4.23E+13    7.12E-01
    1500        -1.2         -.6    2.22E+13    3.29E+13    6.74E-01
    2000        -1.5        -1.1    1.70E+13    2.70E+13    6.29E-01
    2500        -1.6        -1.5    1.35E+13    2.29E+13    5.90E-01
    3000        -1.8        -1.8    1.11E+13    1.99E+13    5.59E-01
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