Research output: Contribution to journal › Article › peer-review
Comparative Analysis of the Chemical Structure of Ethyl Butanoate and Methyl Pentanoate Flames. / Dmitriev, A. M.; Osipova, K. N.; Knyazkov, D. A. et al.
In: Combustion, Explosion and Shock Waves, Vol. 54, No. 2, 01.03.2018, p. 125-135.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Comparative Analysis of the Chemical Structure of Ethyl Butanoate and Methyl Pentanoate Flames
AU - Dmitriev, A. M.
AU - Osipova, K. N.
AU - Knyazkov, D. A.
AU - Gerasimov, I. E.
AU - Shmakov, A. G.
AU - Korobeinichev, O. P.
N1 - Funding Information: This work was supported by the Russian Foundation for Basic Research (Grant No. 15-08-05553). Publisher Copyright: © 2018, Pleiades Publishing, Ltd.
PY - 2018/3/1
Y1 - 2018/3/1
N2 - 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 major intermediates and temperature profiles were obtained in flames of stoichiometric (φ = 1) and rich (φ = 1.5) combustible mixtures. Experimental data are analyzed and compared with previously obtained experimental and numerical data for methyl pentanoate flames. The structure of ethyl butanoate flames is simulated using a detailed literature chemical-kinetic mechanism for the oxidation of fatty acid esters. The experimental profiles are compared with the simulated ones, and the conversion pathways of ethyl butanoate are analyzed. Based on a comparative analysis of experimental and simulated data, the main shortcomings of the model presented in the literature are identified and possible ways are proposed to improve the model. The decomposition of ethyl butanoate and methyl pentanoate are discussed based on an analysis of their conversion pathways; similarities and characteristic differences between their oxidation processes due to the structural differences of the molecules of the fuels are outlined.
AB - 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 major intermediates and temperature profiles were obtained in flames of stoichiometric (φ = 1) and rich (φ = 1.5) combustible mixtures. Experimental data are analyzed and compared with previously obtained experimental and numerical data for methyl pentanoate flames. The structure of ethyl butanoate flames is simulated using a detailed literature chemical-kinetic mechanism for the oxidation of fatty acid esters. The experimental profiles are compared with the simulated ones, and the conversion pathways of ethyl butanoate are analyzed. Based on a comparative analysis of experimental and simulated data, the main shortcomings of the model presented in the literature are identified and possible ways are proposed to improve the model. The decomposition of ethyl butanoate and methyl pentanoate are discussed based on an analysis of their conversion pathways; similarities and characteristic differences between their oxidation processes due to the structural differences of the molecules of the fuels are outlined.
KW - biofuel
KW - combustion mechanism
KW - flame structure
KW - molecular beam mass spectrometry
KW - OXIDATION
KW - ENGINES
KW - JET-STIRRED REACTOR
KW - DECOMPOSITION
KW - COMBUSTION CHEMISTRY
KW - PREMIXED FLAMES
KW - PHOTOIONIZATION MASS-SPECTROMETRY
KW - ESTERS
KW - BIODIESEL
KW - FUEL
UR - http://www.scopus.com/inward/record.url?scp=85048331430&partnerID=8YFLogxK
U2 - 10.1134/S0010508218020016
DO - 10.1134/S0010508218020016
M3 - Article
AN - SCOPUS:85048331430
VL - 54
SP - 125
EP - 135
JO - Combustion, Explosion and Shock Waves
JF - Combustion, Explosion and Shock Waves
SN - 0010-5082
IS - 2
ER -
ID: 13923262