Comparative Analysis of the Chemical Structure of Ethyl Butanoate and Methyl Pentanoate Flames
M. Dmitriev1,2, K. N. Osipova1,2, D. A. Knyazkov1,2,3, I. E. Gerasimov1, A. G. Shmakov1,2, O. P. Korobeinichev1
1Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch, Russian Academy of Science, Novosibirsk, 630090 Russia
2Novosibirsk State University, Novosibirsk, 630090 Russia
3Far Eastern Federal University, Vladivostok, 690091 Russia
Keywords: структура пламени, молекулярно-пучковая масс-спектрометрия, биотопливо, механизм горения, flame structure, molecular beam mass spectrometry, biofuel, combustion mechanism
Abstract
The structure of premixed ethyl butanoate/O2/Ar flames stabilized on a flat burner at atmospheric pressure was studied by molecular beam mass spectrometry. Mole fraction profiles of the reactants, stable products, and basic intermediates and temperature profiles were obtained in flames of a stoichiometric φ = 1) and rich φ = 1.5) combustible mixtures. Experimental data and their analysis are presented in comparison with experimental and numerical data obtained earlier in methyl pentanoate flames. A simulation of the structure of ethyl butanoate flames was modeled using a detailed literature chemical-kinetic mechanism for the oxidation of esters fatty acids. The experimental profiles are compared with the calculated ones, and the transformation pathways of ethyl butanoate were analyzed. Based on a comparative analysis of experimental and calculated data, the main shortcomings of the model presented in the literature are identified and possible ways to improve the model are suggested. Features of decomposition of ethyl butanoate and methyl pentanoate are discussed based on an analysis of their transformation pathways; similarities and characteristic differences between their oxidation processes due to the different structure of the molecules of the original fuels are outlined.
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