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Experimental and modeling study of the oxidation of cyclohexene
Author(s) -
Dayma G.,
Glaude P. A.,
Fournet R.,
BattinLeclerc F.
Publication year - 2003
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.10127
Subject(s) - chemistry , cyclohexene , thermochemistry , arrhenius equation , combustion , ignition system , propyne , autoignition temperature , thermodynamics , reaction mechanism , shock tube , detonation , oxygen , photochemistry , shock wave , organic chemistry , activation energy , catalysis , physics , explosive material
Ignition delays of cyclohexene–oxygen–argon mixtures were measured behind shock. Mixtures contained 1 or 2% of hydrocarbons for equivalence ratios ranging from 0.5 to 2. Reflected shock waves permitted to obtain temperatures from 1050 to 1520 K and pressures from 7.7 to 9.1 atm. The experimental results exhibit an Arrhenius variation vs. temperature. A detailed mechanism of the combustion of cyclohexene has been written in the line of the mechanism developed previously for the reaction of C 3 C 4 unsaturated hydrocarbons (propyne, allene, 1,3‐butadiene, butynes); it is based on recent kinetic data values published in the literature and is consistent with thermochemistry. This mechanism has been validated by comparing the results of the simulations to the experimental results obtained for ignition delays. The main reaction pathways have been derived from flow rate and sensitivity analyses for the different temperature areas studied. © 2003 Wiley Periodicals, Inc. Int J Chem Kinet 35: 273–285, 2003