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Experimental and modeling study of the oxidation of isobutene
Author(s) -
Bauge J. C.,
BattinLeclerc F.,
Baronnet F.
Publication year - 1998
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/(sici)1097-4601(1998)30:9<629::aid-kin4>3.0.co;2-u
Subject(s) - chemistry , shock tube , chemkin , ignition system , oxygen , shock wave , argon , analytical chemistry (journal) , combustion , thermodynamics , organic chemistry , physics
This article describes an experimental and modeling study of the oxidation of isobutene. The low‐temperature oxidation was studied in a continuous‐flow stirred‐tank reactor operated at constant temperature (from 833 to 913 K) and pressure (1 atm), with fuel equivalence ratios from 3 to 6 and space times ranging from 1 to 10 s corresponding to isobutene conversion yields from 1 to 50%. The main carbon containing products were analyzed by gas chromatography. The ignition delays of isobutene‐oxygen‐argon mixtures with fuel equivalence ratios from 1 to 3 were measured behind shock waves. Reflected shock waves permitted to obtain temperatures from 1230 to 1930 K and pressures from 9.5 to 10.5 atm. A mechanism has been proposed to reproduce the profiles obtained for the reactants consumption and the products formation during the slow oxidation and to compute the ignition delays in the shock tube. Simulations were performed using CHEMKIN II. A correct agreement between the simulated values and the experimental data has been obtained in both apparatuses. The main reaction paths have been determined for both series of measurements by a sensitivity and rate of production analysis. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 629–640, 1998