This paper describes an experimental and modeling study of the oxidation of the three isomers of xylene (ortho-, meta-and para-xylenes). For each compound, ignition delay times of hydrocarbon-oxygen-argon mixtures with fuel equivalence ratios from 0.5 to 2 were measured behind reflected shock waves for temperatures from 1330 to 1800 K and pressures from 6.7 to 9 bar. The results show a similar reactivity for the three isomers.A detailed kinetic mechanism has been proposed, which reproduces our experimental results, as well as some literature data obtained in a plug flow reactor at 1155 K showing a clear difference of reactivity between the three isomers of xylene. The main reaction paths have been determined by sensitivity and flux analyses and have allowed the differences of reactivity to be explained.
Ignition delays were measured behind shock waves in the cases of hydrocarbonoxygen-argon mixtures containing 1-butyne or 2-butyne (1 or 2% of hydrocarbons for equivalence ratios from 0.5 to 2). Reflected shock waves permitted to obtain temperatures from 1100 to 1600 K and pressures from 6.3 to 9.1 atm.A detailed mechanism of the reactions of 1-butyne and 2-butyne has been explained in the line of the mechanism developed previously for the reaction of C 3 -C 4 unsaturated hydrocarbons (propyne, allene, 1,3-butadiene) [Int J Chem Kin 1999, 31, 361]. It is based on the most recent kinetic data values published in the literature and is consistent with thermochemistry.This mechanism has been validated by comparing the results of our simulations to the experimental results obtained for ignition delays in our shock tube and to measurements of species obtained during thermal decomposition [Int
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