Experimental and modeling of oxidation of acetylene, propyne, allene and 1,3-butadiene

The ignition delays of insaturated hydrocarbons-oxygen-argon mixtures were measured behind shock waves in the cases of acetylene, propyne, allene and 1,3-butadiene. Reflected shock waves permitted to obtain temperatures from 1000-1650 K and pressures from 8.5 to 10.0 atm. A particular effort has been made to build a detailed mechanism of the reactions of C-3-C-4 unsaturated species and benzene. This mechanism is based on the most recent kinetic data values published in the literature and is consistent with the thermochemistry. This mechanism has been validated by comparing the results of our simulations to the experimental results obtained in our shock tube experiments and to profiles of radicalar and molecular species measured in three premixed flames (acetylene [1-2] and 1,3-butadiene [3]) coming from the literature. The main reaction pathways have been derived in the case of the oxidation of these four insaturated hydrocarbons and for the formation of benzene. (C) 1999 John Wiley & Sons, Inc.