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Revisiting 1-hexene low-temperature oxidation

Abstract : The low-temperature oxidation of 1-hexene has been studied in a jet-stirred reactor for temperatures from 500 to 1100 K, at atmospheric pressure, for equivalence ratios from 0.5 to 2 with a high dilution in helium. Product formation has been investigated using gas chromatography, as well as laser-single-photon-ionization time-of-flight mass spectrometry and cw-cavity-ring down spectroscopy. These two last techniques have allowed the quantification of ketene, C1–C3 alkylhydroperoxides, hexenyl hydroperoxides, C6 unsaturated ketohydroperoxides, and hydrogen peroxide. Starting from a previous model generated automatically, a new model has been developed for 1-hexene oxidation by updating some determinant reaction kinetics based on newly published theoretical calculations. This new model allows a good prediction of most of the newly obtained experimental results, as well as satisfactory simulation of literature data obtained for the high-temperature oxidation in a high-pressure jet-stirred reactor, in a rapid compression machine, and in two shock tubes.
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Contributor : Olivier Herbinet <>
Submitted on : Thursday, November 2, 2017 - 8:10:37 AM
Last modification on : Thursday, January 11, 2018 - 6:25:27 AM
Document(s) archivé(s) le : Saturday, February 3, 2018 - 12:14:54 PM




Xiangzan Meng, Anne Rodriguez, Olivier Herbinet, Tianyou Wang, Frédérique Battin Leclerc. Revisiting 1-hexene low-temperature oxidation. Combustion and Flame, Elsevier, 2017, 181, pp.283-299. ⟨10.1016/j.combustflame.2017.03.031⟩. ⟨hal-01626412⟩



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