OH + H2O2 -> H2O + HO2

SOURCE:

The reaction is entered twice in order to express the dual-exponential fit of Hippler et al. (1995) in the Chemkin format.

COMMENTS:

The dual-exponential expression used in GRI-Mech 1.2 was based on the earlier high-temperature data reported by Hippler and Troe (1992) together with a large collection of low-temperature data reviewed by DeMore et al. (1992) and Baulch et al. (1992). Further refinement of the high-temperature data by Hippler et al. (1995) led to a much steeper temperature dependence at high temperature, as shown in the Arrhenius graph. The rate parameters in both the 1.2 and the 3.0 expressions are those of Hippler and coworkers; neither optimization included this rate coefficient among the optimization variables.

REFERENCES:

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.; Warnatz, J. (1992) J. Phys. Chem. Ref. Data 21, 411.

DeMore, W.B., Sander, S.P., Golden, D.M., Hampson, R.F., Kurylo, M.J., Howard, C.J., Ravishankara, A.R., Kolb, C.E., and Molina, M.J. (1992) Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling Evaluation 10, JPL Publication 92-20.

Hippler, H., and Troe, J. (1992) Chem. Phys. Lett. 192, 333.

Hippler, H., Neunaber, and Troe, J. (1995) J. Chem. Phys.103, 3510.

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  Temp       DS          DH        kf        kr        Keq
   (K)   (cal/mol K)  (kcal/mol)   ----- (mol,cm3,s)  -----    
______________________________________________________________

   298      -0.1       -31.6    9.73E+11  6.69E-12  1.45E+23
   300      -0.1       -31.6    9.77E+11  9.34E-12  1.05E+23
   400      -0.4       -31.7    1.17E+12  6.54E-06  1.79E+17
   500      -0.6       -31.8    1.30E+12  2.16E-02  6.02E+13
  1000      -1.4       -32.4    2.25E+12  3.78E+05  5.94E+06
  1500      -1.7       -32.8    8.99E+13  3.58E+09  2.51E+04
  2000      -1.9       -33.1    1.04E+15  6.57E+11  1.58E+03
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