CH3 + CH3 (+M) -> C2H6 (+M)

k_o = 3.40E+41 T^(-7.03) exp(-2763 cal/mol /RT) cm^6/mol^2 s

k_inf = 6.77E+16 T^(-1.18) exp(-654 cal/mol /RT) cm3/mol s

F_cent = (1-0.619) exp(-T/73.2) + 0.619 exp(-T/1180) + exp(-9999/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
AR Enhanced by 0.7
SOURCE:
Wagner, A.F., and Wardlaw, D.M. (1988) J. Phys. Chem. 92, 2462.
COMMENTS:
Served as an optimization variable in GRI-Mech 3.0. The rate coefficient was multiplied by 0.75.
A higher k_inf value is suggested by the recent theoretical study of Pesa, M., Pilling, M. J., Robertson, S. H., and Wardlaw, D.M. (1998) J. Phys. Chem. 102, 8526.
The pressure broadening is expressed in the Troe form.
The reaction also served as an optimization variable in GRI-Mech 1.1, 1.2, and 2.11 releases. The rate coefficient was not changed. These releases used a similar rate expression, from Stewart, P.H., Larson, C.W., and Golden, D.M. (1989) Combust. Flame 75, 25.

                        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       -38.0       -90.3    2.60E+13    3.68E-49    7.08E+61
     500       -40.3       -91.1    2.00E+13    4.50E-23    4.44E+35
    1000       -40.8       -91.4    4.38E+12    4.65E-04    9.42E+15
    1500       -40.1       -90.5    6.01E+11    2.95E+01    3.30E+09
    2000       -39.3       -89.2    9.75E+10    4.18E+04    2.33E+06
    2500       -38.7       -87.9    2.15E+10    6.38E+05    3.37E+04
    3000       -38.2       -86.4    6.77E+09    3.12E+06    2.17E+03
______________________________________________________________________


                        PRESSURE = 1 atm N2    
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -38.0       -90.3    2.66E+13    3.76E-49    7.08E+61
     500       -40.3       -91.1    2.18E+13    4.91E-23    4.44E+35
    1000       -40.8       -91.4    8.93E+12    9.53E-04    9.42E+15
    1500       -40.1       -90.5    2.09E+12    6.31E+02    3.30E+09
    2000       -39.3       -89.2    4.20E+11    1.80E+05    2.33E+06
    2500       -38.7       -87.9    1.02E+11    3.03E+06    3.37E+04
    3000       -38.2       -86.4    3.44E+10    1.58E+07    2.17E+03
______________________________________________________________________


                        PRESSURE = 10 atm N2   
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -38.0       -90.3    2.69E+13    3.80E-49    7.08E+61
     500       -40.3       -91.1    2.24E+13    5.06E-23    4.44E+35
    1000       -40.8       -91.4    1.17E+13    1.25E-03    9.42E+15
    1500       -40.1       -90.5    4.87E+12    1.48E+03    3.30E+09
    2000       -39.3       -89.2    1.51E+12    6.48E+05    2.33E+06
    2500       -38.7       -87.9    6.95E+11    1.35E+07    3.37E+04
    3000       -38.2       -86.4    6.33E+11    7.46E+07    2.17E+03
______________________________________________________________________

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