OH + OH (+M) -> H2O2 (+M)

k_o = 2.30E+18 T^(-0.9) exp(1700 cal/mol /RT) cm^6/mol^2 s

k_inf = 7.40E+13 T^(-0.37) cm3/mol s

F_cent = (1-0.735) exp(-T/94) + 0.735 exp(-T/1756) + exp(-5182/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 expression is from Zellner et al. (1988); the k_o expression is from a fit to the expression of Baulch et al. (1992) the reverse reaction rate coefficient and the 300 K result Zellner et al. (1988).
COMMENTS:
The pressure broadening is expressed in the Troe form.
REFERENCES:
Zellner et al. (1988)
Zellner, R.E, Ewig, F., Paschke, R., and Wagner, H.Gg. (1988) J. Phys. Chem. 92, 4184.
Baulch et al. (1992)
Baulch, D.L., Cobos, C.J., Cox, R.A., Esser, C., Frank, P., Just, Th., Kerr, J.A., Pilling, M.J., Troe, J., Walker, R.W., and Warnatz, J. J. (1992) J. Phys. Chem. Ref. Data 21, 411. 
                        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       -31.8       -51.3    6.92E+11    1.08E-23    6.40E+34
     500       -33.4       -51.9    9.48E+10    9.52E-10    9.95E+19
    1000       -34.0       -52.2    1.06E+10    1.31E+01    8.07E+08
    1500       -33.7       -51.9    3.52E+09    1.83E+04    1.93E+05
    2000       -33.5       -51.4    1.74E+09    5.18E+05    3.36E+03
    2500       -33.2       -50.9    1.05E+09    3.30E+06    3.19E+02
    3000       -33.0       -50.4    7.19E+08    1.03E+07    7.01E+01
______________________________________________________________________


                        PRESSURE = 1 atm N2    
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -31.8       -51.3    2.98E+12    4.66E-23    6.40E+34
     500       -33.4       -51.9    7.09E+11    7.13E-09    9.95E+19
    1000       -34.0       -52.2    9.06E+10    1.12E+02    8.07E+08
    1500       -33.7       -51.9    3.05E+10    1.58E+05    1.93E+05
    2000       -33.5       -51.4    1.52E+10    4.51E+06    3.36E+03
    2500       -33.2       -50.9    9.30E+09    2.92E+07    3.19E+02
    3000       -33.0       -50.4    6.45E+09    9.20E+07    7.01E+01
______________________________________________________________________


                        PRESSURE = 10 atm N2   
______________________________________________________________________
    Temp      delta-S     delta-H      kf          kr         Keq     
     (K)    (cal/mol K)  (kcal/mol) ----(mol,cm3,s)-----   (cm3/mol)  
______________________________________________________________________
                                                                      
     300       -31.8       -51.3    6.27E+12    9.79E-23    6.40E+34
     500       -33.4       -51.9    2.50E+12    2.52E-08    9.95E+19
    1000       -34.0       -52.2    5.64E+11    6.98E+02    8.07E+08
    1500       -33.7       -51.9    2.12E+11    1.10E+06    1.93E+05
    2000       -33.5       -51.4    1.11E+11    3.29E+07    3.36E+03
    2500       -33.2       -50.9    7.08E+10    2.22E+08    3.19E+02
    3000       -33.0       -50.4    5.11E+10    7.29E+08    7.01E+01
______________________________________________________________________
[ Rate coefficient format | Chemkin file | Thermo data | Main menu ]