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Absolute rate constant for the reaction of O(/sup 3/P) with ethanol

Journal Article · · J. Phys. Chem.; (United States)
DOI:https://doi.org/10.1021/j100402a049· OSTI ID:5628956

The rate constant for the reaction of atomic oxygen with ethanol was measured directly by two experimental techniques: flash photolysis-resonance fluorescence (FP-RF, 297-886 K) and discharge flow-resonance fluorescence (DF-RF, 298-706 K). Kinetic complications in the DF-RF experiments from a fast secondary reaction and heterogeneous effects were overcome by operating at very low initial O-atom concentrations combined with the addition of excess O/sub 2/. Under these conditions results obtained in the DF-RF experiments were in very close agreement with those from the FP-RF work, which was not perturbed by any apparent complication. The combined results show slight non-Arrhenius behavior and the data were accordingly fit to a three-parameter expression, 298-886 K, k/sub 1/(T) = 9.88 x 10/sup -19/T/sup 2/ /sup 46/ exp(-932/T), in units of cm/sup 3/ molecule/sup -1/ s/sup -1/, with an error limit of about +- 15% over the given temperature range. In addition, initial (O) variation experiments were carried out at 298 K in the DF-RF apparatus to investigate the mechanism of this reaction, and model calculations for an assumed mechanism were performed. Finally, the branching ratios for the three possible H-abstraction channels are discussed in light of the non-Arrhenius behavior displayed in the present rate data.

Research Organization:
Brookhaven National Lab., Upton, NY
DOE Contract Number:
AC02-76CH00016
OSTI ID:
5628956
Journal Information:
J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 90:11; ISSN JPCHA
Country of Publication:
United States
Language:
English