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 reac tions of C-3-C-4 unsaturated species and benzene. This mechanism is based o n the most recent kinetic data values published in the literature and is co nsistent with the thermochemistry. This mechanism has been validated by comparing the results of our simulatio ns to the experimental results obtained in our shock tube experiments and t o profiles of radicalar and molecular species measured in three premixed fl ames (acetylene [1-2] and 1,3-butadiene [3]) coming from the literature. Th e main reaction pathways have been derived in the case of the oxidation of these four insaturated hydrocarbons and for the formation of benzene. (C) 1 999 John Wiley & Sons, Inc.