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An experimental and modeling study of ethanol oxidation kinetics in an atmospheric pressure flow reactor
Author(s) -
Norton T. S.,
Dryer F. L.
Publication year - 1992
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550240403
Subject(s) - chemistry , acetaldehyde , methanol , atmospheric pressure , branching (polymer chemistry) , kinetics , radical , methane , ethanol , decomposition , reaction mechanism , chemical kinetics , photochemistry , organic chemistry , catalysis , meteorology , quantum mechanics , physics
Experimental profiles of stable species concentrations and temperature are reported for the flow reactor oxidation of ethanol at atmospheric pressure, initial temperatures near 1100 K and equivalence ratios of 0.61–1.24. Acetaldehyde, ethene, and methane appear in roughly equal concentrations as major intermediate species under these conditions. A detailed chemical mechanism is validated by comparison with the experimental species profiles. The importance of including all three isomeric forms of the C 2 H 5 O radical in such a mechanism is demonstrated. The primary source of ethene in ethanol oxidation is verified to be the decomposition of the C 2 H 4 OH radical. The agreement between the model and experiment at 1100 K is optimized when the branching ratio of the reactions of C 2 H 5 OH with OH and H is defined by (30% C 2 H 4 OH + 50% CH 3 CHOH + 20% CH 3 CH 2 O) + XH. As in methanol oxidation, HO 2 chemistry is very important, while the H + O 2 chain branching reaction plays only a minor role until late in fuel decay, even at temperatures above 1100 K.