H + CH2O (+M) -> CH3O (+M)


k_o = 2.20E+30 T^(-4.8) exp(-5560 cal/mol /RT) cm^6/mol^2 s

k_inf = 5.40E+11 T^0.45 exp(-2600 cal/mol /RT) cm3/mol s

F_cent = (1-0.758) exp(-T/94) + 0.758 exp(-T/1555) + exp(-4200/T)

Third-body efficiencies:

N2 1.0 H2 Enhanced by 2.0 H2O Enhanced by 6.0 CH4 Enhanced by 2.0 CO Enhanced by 1.5 CO2 Enhanced by 2.0 C2H6 Enhanced by 3.0


SOURCE:
The expression for k_inf was estimated by analogy to reaction
74 H + C2H4(+M)  -> C2H5(+M)
with a 3 kcal/mol barrier, according to the calculations of Melius (1992).
The parameters for k_o fit the 1000 K decomposition results of Choudhury et al. (1990)

k_o and F_cent for N2 are calculated by the method of Troe (1977):
delta-E(0 K) = 3.0 kcal/mol
delta-H(0 K) = -20.7 kcal/mol
<delta E> = 0.20 kcal/mol
The Lennard-Jones parameters: sigma(CH3O-N2) = 3.72 A, epsilon = 183 K
I+/I = 2.7 (for Waage-Rabinovitch correction)
v = 3320, 3320, 3220, 1660, 1600, 1580, 1160, 1060, 720 cm^(-1)

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

The pressure broadening is expressed in the Troe form.

REFERENCES:
Melius (1992)
Melius, C. (1992) private communication.
Choudhury et al. (1990)
Choudhury, T.K., He, Y., Sanders, W.A., and Lin, M.C. (1990) J. Phys. Chem. 94, 2394.
Troe (1977)
Troe, J. (1977) J.Chem.Phys. 66, 4745.

                        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       -25.1       -22.3    9.00E+08    6.82E-07    1.32E+15
     500       -27.0       -23.0    1.92E+09    3.34E+00    5.76E+08
    1000       -28.4       -24.0    5.57E+08    6.38E+04    8.72E+03
    1500       -28.8       -24.4    1.34E+08    5.91E+05    2.27E+02
    2000       -28.8       -24.4    4.08E+07    1.05E+06    3.90E+01
    2500       -28.7       -24.2    1.51E+07    1.05E+06    1.43E+01
    3000       -28.6       -23.9    6.42E+06    8.37E+05    7.67E+00
______________________________________________________________________


                        PRESSURE = 1 atm N2    
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -25.1       -22.3    7.38E+09    5.59E-06    1.32E+15
     500       -27.0       -23.0    1.71E+10    2.96E+01    5.76E+08
    1000       -28.4       -24.0    5.21E+09    5.98E+05    8.72E+03
    1500       -28.8       -24.4    1.27E+09    5.61E+06    2.27E+02
    2000       -28.8       -24.4    3.92E+08    1.00E+07    3.90E+01
    2500       -28.7       -24.2    1.46E+08    1.02E+07    1.43E+01
    3000       -28.6       -23.9    6.28E+07    8.18E+06    7.67E+00
______________________________________________________________________


                        PRESSURE = 10 atm N2   
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -25.1       -22.3    3.09E+10    2.34E-05    1.32E+15
     500       -27.0       -23.0    1.06E+11    1.84E+02    5.76E+08
    1000       -28.4       -24.0    4.49E+10    5.15E+06    8.72E+03
    1500       -28.8       -24.4    1.16E+10    5.11E+07    2.27E+02
    2000       -28.8       -24.4    3.67E+09    9.40E+07    3.90E+01
    2500       -28.7       -24.2    1.39E+09    9.74E+07    1.43E+01
    3000       -28.6       -23.9    6.06E+08    7.90E+07    7.67E+00
______________________________________________________________________

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