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

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 fur 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 I-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 I Chem Kin 1995, 27, 32 1, J Phys Chem 1993, 97, 10977] The main reaction pathways have been derived from How-rate and sensitivity analyses, (C) 2002 Wiley Periodicals, Inc.