H + C2H2 (+M) -> C2H3 (+M)

k_o = 3.80E+40 T^(-7.27) exp(-7220 cal/mol /RT) cm^6/mol^2 s

k_inf = 5.60E+12 exp(-2400 cal/mol /RT) cm3/mol s

F_cent = (1-0.751) exp(-T/98.5) + 0.751 exp(-T/1302) + exp(-4167/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:
RRKM calculations.
The k_inf is from Payne, W.A., and Stief, L.J. (1976) J. Chem. Phys. 64, 1150.
The k_o expression from Tsang, W., and Hampson, R.F. (1986) J. Phys. Chem. Ref. Data 15, 1087.

COMMENTS: 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)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -19.6       -35.0    6.42E+10    1.54E-15    4.18E+25
     500       -22.1       -36.0    2.03E+11    6.16E-05    3.29E+15
    1000       -24.3       -37.5    8.76E+10    1.38E+03    6.37E+07
    1500       -25.0       -38.4    1.36E+10    8.27E+04    1.65E+05
    2000       -25.3       -38.9    2.65E+09    3.07E+05    8.61E+03
    2500       -25.6       -39.4    6.59E+08    4.40E+05    1.50E+03
    3000       -25.7       -39.9    1.99E+08    4.18E+05    4.75E+02
______________________________________________________________________


                        PRESSURE = 1 atm N2    
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -19.6       -35.0    9.01E+10    2.16E-15    4.18E+25
     500       -22.1       -36.0    3.84E+11    1.17E-04    3.29E+15
    1000       -24.3       -37.5    3.24E+11    5.08E+03    6.37E+07
    1500       -25.0       -38.4    9.10E+10    5.52E+05    1.65E+05
    2000       -25.3       -38.9    2.16E+10    2.51E+06    8.61E+03
    2500       -25.6       -39.4    5.87E+09    3.91E+06    1.50E+03
    3000       -25.7       -39.9    1.85E+09    3.89E+06    4.75E+02
______________________________________________________________________


                        PRESSURE = 10 atm N2   
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -19.6       -35.0    9.71E+10    2.32E-15    4.18E+25
     500       -22.1       -36.0    4.64E+11    1.41E-04    3.29E+15
    1000       -24.3       -37.5    8.34E+11    1.31E+04    6.37E+07
    1500       -25.0       -38.4    3.55E+11    2.15E+06    1.65E+05
    2000       -25.3       -38.9    1.34E+11    1.56E+07    8.61E+03
    2500       -25.6       -39.4    4.59E+10    3.06E+07    1.50E+03
    3000       -25.7       -39.9    1.61E+10    3.38E+07    4.75E+02
______________________________________________________________________
[ Rate coefficient format | Chemkin file | Thermo data | Main menu ]