Experimental and modeling study of 1-octene jet-stirred reactor oxidation

Abstract The oxidation of 1-octene has been studied in a jet-stirred reactor for temperatures from 500 to 1100 K, at atmospheric pressure, with dilute mixtures of equivalence ratios of 0.25, 0.5, 1.0, and 2.0 in helium. The initial fuel mole fraction was set as 0.005. Product formation has been investigated using gas chromatography. In addition to usual C 0 -C 4 oxidation products, the produced mole fractions of 1,4-pentadiene, cyclohexene, ethylcyclohexene, C 5 -C 8 aldehydes, 2-octanone, octenal, hexyl-oxirane, and 2-propyl,5-hydroxytetrahydrofuran have been quantified. Following the same kinetic rules as in a model recently developed for 1-hexene, a new model has been written for 1-octene oxidation. This new model allows an acceptable prediction of most of the newly obtained experimental results, as well as of previous literature ones. The most important deviations were encountered for aldehydes, ketones and cyclic alkenes indicating missing reaction pathways for these compounds.