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


k_o = 1.77E+50 T^(-9.67) exp(-6220 cal/mol /RT) cm^6/mol^2 s

k_inf = 2.12E+16 T^(-0.97) exp(-620 cal/mol /RT) cm3/mol s

F_cent = (1-0.533) exp(-T/151) + 0.533 exp(-T/1038) + exp(-4970/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:
Stewart, P.H., Larson, C.W., and Golden, D.M. (1989) Combust. Flame 75, 25.

COMMENTS:
Served as an optimization variable in GRI-Mech 1.1, 1.2, and 2.1 releases. The rate coefficient was not changed.

The pressure broadening is expressed in the Troe form.

                        PRESSURE = 0.1 atm N2  
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (mol/cm3)  
______________________________________________________________________
                                                                      
     300       -38.0       -90.3    2.79E+13    3.94E-49    7.08E+61
     500       -40.3       -91.1    2.29E+13    5.16E-23    4.44E+35
    1000       -40.8       -91.4    4.51E+12    4.78E-04    9.42E+15
    1500       -40.1       -90.5    5.09E+11    1.54E+02    3.30E+09
    2000       -39.3       -89.2    8.29E+10    3.56E+04    2.33E+06
    2500       -38.7       -87.9    1.67E+10    4.96E+05    3.37E+04
    3000       -38.2       -86.4    3.83E+09    1.76E+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)-----   (mol/cm3)  
______________________________________________________________________
                                                                      
     300       -38.0       -90.3    2.90E+13    4.09E-49    7.08E+61
     500       -40.3       -91.1    2.55E+13    5.75E-23    4.44E+35
    1000       -40.8       -91.4    1.03E+13    1.10E-03    9.42E+15
    1500       -40.1       -90.5    1.91E+12    5.80E+02    3.30E+09
    2000       -39.3       -89.2    3.98E+11    1.71E+05    2.33E+06
    2500       -38.7       -87.9    1.09E+11    3.23E+06    3.37E+04
    3000       -38.2       -86.4    3.04E+10    1.40E+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)-----   (mol/cm3)  
______________________________________________________________________
                                                                      
     300       -38.0       -90.3    2.94E+13    4.15E-49    7.08E+61
     500       -40.3       -91.1    2.66E+13    5.98E-23    4.44E+35
    1000       -40.8       -91.4    1.47E+13    1.56E-03    9.42E+15
    1500       -40.1       -90.5    5.43E+12    1.65E+03    3.30E+09
    2000       -39.3       -89.2    1.50E+12    6.44E+05    2.33E+06
    2500       -38.7       -87.9    4.97E+11    1.47E+07    3.37E+04
    3000       -38.2       -86.4    1.89E+11    8.72E+07    2.17E+03
______________________________________________________________________


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