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Experimental and modeling study of the oxidation of 1-butyne and 2-butyne

✍ Scribed by N. Belmekki; P. A. Glaude; I. Da Costa; R. Fournet; F. Battin-Leclerc

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
346 KB
Volume
34
Category
Article
ISSN
0538-8066

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✦ Synopsis

Abstract

Ignition delays were measured behind shock waves in the cases of hydrocarbon–oxygen–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 J Chem Kin 1995, 27, 321; J Phys Chem 1993, 97, 10977]. The main reaction pathways have been derived from flow‐rate and sensitivity analyses. © 2002 Wiley Periodicals, Inc. Int J Chem Kinet 34: 172–183, 2002; DOI 10.1002/kin.10035

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