Experimental and kinetic modeling of methyl octanoate oxidation in an opposed-flow diffusion flame and a jet-stirred reactor

Abstract

New experimental results, consisting of concentration profiles of stable species as a function of temperature, were obtained for the oxidation of methyl octanoate in a jet-stirred reactor (JSR) at 0.101MPa, 0.5<φ<2 and 800<T (K)<1350. In addition, new experimental data, consisting of concentration profiles of stable species as a function of distance from fuel port, generated in an opposed-flow diffusion flame at 0.101MPa are presented. A detailed chemical kinetic model was developed to study the oxidation of methyl octanoate (CAS 111-11-5), a model compound for biodiesel fuels, under the present conditions. The kinetic model consists of 383 chemical species and 2781 chemical reactions (most of them reversible). Experimentally, the oxidation of methyl octanoate in the JSR at atmospheric pressure does not show low temperature and negative temperature coefficient behavior, whereas hot ignition occurs at about 800K. The present modeling results are in reasonably good agreement with the experimental data, describing the intermediate species measured in the jet-stirred reactor and in opposed-flow diffusion flame experiments.