2011

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

Experimental and kinetic modeling of methyl octanoate oxidation in an opposed-flow diffusion flame and a jet-stirred reactor.
Proceedings of the Combustion Institute
Volume 33, Issue 1, 2011, Pages 1037–1043
G. Daymaa, M. Sarathyc, C. Togbéa, C. Yeungc, M.Thomsonc, P. Dagautc
Methyl octanoate; Opposed-flow diffusion flame; Jet-stirred reactor; Kinetic modeling; Biodiesel
2011
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 0.101 MPa, 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 0.101 MPa 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 800 K. 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.