OH + CH3 (+M) -> CH3OH (+M)

k_inf = 2.79E+18 T^(-1.43) exp(-1330 cal/mol /RT)cm3/mol s

F_cent = (1-0.412) exp(-T/195) + 0.412 exp(-T/5900) + exp(-6394/T)

Third-body efficiencies:

SOURCE:

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

COMMENTS:

The channel 1 parameters reflect a compromise fit to the conflicting low pressure 300 K data for reaction
97. OH + CH3 -> CH2(S) + H2O.
Hughes et al. (1992), Hack et al. (1988), and Staker et al. (1991) favor a higher value, and Oser et al. (1992) and Bott and Cohen (1991) (at 1200 K) favor a lower value. The channel 2 parameters were selected to match the high pressure 300 K data of Hughes et al. (1992) and Anastasi et al. (1991) and the decomposition data of Spindler et al. (1982), Dombrowsky et al. (1991), and Cribb et al. (1984).

Results for methanol decomposition, k_o in Ar at 1800 K

Reference	cm3/mol s
GRI-Mech	8.3E8
Cribb et al. (1984)	5.4E8
Spindler et al. (1982)	1.0E9
Hidaka et al. (1989)	3.2E8

The pressure broadening is expressed in the Troe form.

REFERENCES:

Spindler et al. (1982)

Spindler, K., and Wagner, H.G. (1982) Ber. Bunsenges. Phys. Chem. 86, 2.

Dombrowsky et al. (1991)

Dombrowsky, C., Hoffmann, A., Klatt, M., and Wagner, H. Gg. (1991) Ber. Bunsenges. Phys. Chem. 95, 1685.

Cribb et al. (1984)

Cribb, P.H., Dove, J.E., and Yamazaki, S. (1984) 20th Symposium (International) on Combustion, p. 779.

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.

Hidaka et al. (1989)

Hidaka, Y., Oki, T., Kawano, H., and Higashihara, T. (1989) J. Phys. Chem. 93, 7134.

                        PRESSURE = 0.1 atm N2  
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -33.0       -92.5    3.05E+13    7.66E-52    3.98E+64
     500       -35.5       -93.5    1.46E+13    2.73E-25    5.34E+37
    1000       -36.6       -94.2    1.07E+12    3.35E-06    3.19E+17
    1500       -36.4       -93.9    1.27E+11    1.91E+00    6.66E+10
    2000       -36.0       -93.3    2.44E+10    7.09E+02    3.44E+07
    2500       -35.7       -92.6    6.45E+09    1.61E+04    4.00E+05
    3000       -35.4       -91.9    2.11E+09    9.72E+04    2.17E+04
______________________________________________________________________


                        PRESSURE = 1 atm N2    
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -33.0       -92.5    6.22E+13    1.56E-51    3.98E+64
     500       -35.5       -93.5    3.96E+13    7.41E-25    5.34E+37
    1000       -36.6       -94.2    6.17E+12    1.93E-05    3.19E+17
    1500       -36.4       -93.9    9.92E+11    1.49E+01    6.66E+10
    2000       -36.0       -93.3    2.11E+11    6.13E+03    3.44E+07
    2500       -35.7       -92.6    5.86E+10    1.47E+05    4.00E+05
    3000       -35.4       -91.9    1.97E+10    9.08E+05    2.17E+04
______________________________________________________________________


                        PRESSURE = 10 atm N2   
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -33.0       -92.5    7.86E+13    1.97E-51    3.98E+64
     500       -35.5       -93.5    7.52E+13    1.41E-24    5.34E+37
    1000       -36.6       -94.2    1.92E+13    6.02E-05    3.19E+17
    1500       -36.4       -93.9    5.09E+12    7.64E+01    6.66E+10
    2000       -36.0       -93.3    1.48E+12    4.30E+04    3.44E+07
    2500       -35.7       -92.6    4.73E+11    1.18E+06    4.00E+05
    3000       -35.4       -91.9    1.72E+11    7.93E+06    2.17E+04
______________________________________________________________________

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