CH2 + O2 -> OH + H + CO

k = 5.00E12 exp(-1500 cal/mol /RT) cm3/mol s

SOURCE:

Vinckier, C., and Debruyn, W. (1979) J. Phys. Chem. 83, 2057. (rate constant)

Alvarez, R.A., and Moore, C.B. (1994) J. Phys. Chem. 98, 174. (product branch)

COMMENTS:

Reaction 135 served as an optimization variable in GRI-Mech 1.1, 1.2,and 2.1 releases. As a result of the 1.1 optimization round, the preexponential factor was decreased by a factor of 1.73 from the initial literature value of 2.286E13 cm3/mol s. In version 3.0 the reaction products were revised according to the results of Alvarez and Moore (1994), using 3 related reactions:

135 CH2 + O2 => OH + H + CO

290 CH2 + O2 => 2H + CO2

291 CH2 + O2 => O + CH2O

Served as an optimization variable for GRI-Mech 3.0 and was not changed.

REFERENCES:

Dombrowsky and Wagner (1992)

Dombrowsky, Ch. and Wagner, H. Gg. (1992) Ber. Bunsenges. Phys. Chem. 96, 194.

Bley et al. (1992)

Bley, U., Temps, F., Wagner, H.Gg., and Wolf, M. (1992) Ber. Bunsenges. Phys. Chem. 96, 1043.

Tsang and Hampson (1986)

Tsang, W., and Hampson, R.F. (1986) J. Phys. Chem. Ref. Data 15, 1087.

Baulch et al. (1992)

Baulch, D.L., Cobos, C.J., Cox, R.A., Esser, C., Frank, P., Just, Th., Kerr, J.A., Pilling, M.J., Troe, J., Walker, R.W., and Warnatz, J. J. (1992) J. Phys. Chem. Ref. Data 21, 411.

Pilling and Robertson (1977)

Pilling, M. and Robertson, J.A. (1977) J. Chem. Soc. Far. Trans 1 73, 968.

Darwin et al. (1989)

Darwin, D.C., Young, A.T., Johnston, H.S., and Moore, C.B. (1989) J. Phys. Chem. 93, 1074.

Total rate constant for k( 135) + k( 290) + k( 291) is the same as the GRI-Mech 1.2 value.

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    Temp      delta-S     delta-H      kf          kr         Keq
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)
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     300        23.1       -58.7    4.05E+11    0.00E+00
     500        24.7       -58.0    1.11E+12    0.00E+00
    1000        26.0       -57.1    2.35E+12    0.00E+00
    1500        26.4       -56.7    3.02E+12    0.00E+00
    2000        26.6       -56.4    3.43E+12    0.00E+00
    2500        26.6       -56.3    3.70E+12    0.00E+00
    3000        26.6       -56.3    3.90E+12    0.00E+00
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