Revisiting 1-hexene low-temperature oxidation
Résumé
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.
Fichier principal
2017 C&F 1hexene.pdf (2.82 Mo)
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Exp data.xlsx (51.71 Ko)
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Mech_1-hexene_PLOG (1).txt (487.72 Ko)
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Species glossary (1).pdf (316.81 Ko)
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Supplementary description.pdf (790.52 Ko)
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thermo_1-hexene_PLOG (1).txt (356.75 Ko)
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