Experimental and chemical kinetic modeling study of small methyl esters oxidation: Methyl (E)-2-butenoate and methyl butanoate

Journal Article · Mon Dec 15 04:00:00 EST 2008 · Combustion and Flame

DOI:https://doi.org/10.1016/J.COMBUSTFLAME.2008.04.007· OSTI ID:21125486

Gail, S; Sarathy, S M; Thomson, M J ^[1]; Dievart, P; Dagaut, P ^[2]

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1. Department of Mechanical and Industrial Engineering, University of Toronto, Toronto, ON M5S 3G8 (Canada)
2. CNRS, 1C, Ave de la Recherche Scientifique, 45071 Orleans Cedex 2 (France)

This study examines the effect of unsaturation on the combustion of fatty acid methyl esters (FAME). New experimental results were obtained for the oxidation of methyl (E)-2-butenoate (MC, unsaturated C{sub 4} FAME) and methyl butanoate (MB, saturated C{sub 4} FAME) in a jet-stirred reactor (JSR) at atmospheric pressure under dilute conditions over the temperature range 850-1400 K, and two equivalence ratios ({phi}=0.375,0.75) with a residence time of 0.07 s. The results consist of concentration profiles of the reactants, stable intermediates, and final products, measured by probe sampling followed by on-line and off-line gas chromatography analyses. The oxidation of MC and MB in the JSR and under counterflow diffusion flame conditions was modeled using a new detailed chemical kinetic reaction mechanism (301 species and 1516 reactions) derived from previous schemes proposed in the literature. The laminar counterflow flame and JSR (for {phi}=1.13) experimental results used were from a previous study on the comparison of the combustion of both compounds. Sensitivity analyses and reaction path analyses, based on rates of reaction, were used to interpret the results. The data and the model show that MC has reaction pathways analogous to that of MB under the present conditions. The model of MC oxidation provides a better understanding of the effect of the ester function on combustion, and the effect of unsaturation on the combustion of fatty acid methyl ester compounds typically found in biodiesel. (author)

• OSTI ID: 21125486
• Journal Information: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 4 Vol. 155; ISSN CBFMAO; ISSN 0010-2180
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ABUNDANCE
ATMOSPHERIC PRESSURE
BIOFUELS
CARBOXYLIC ACID ESTERS
COMBUSTION
COMBUSTION KINETICS
COUNTERFLOW SYSTEMS
DIESEL FUELS
DIFFUSION
LAMINAR FLAMES
MATHEMATICAL MODELS
Methyl butanoate
REACTION INTERMEDIATES
SATURATION
SENSITIVITY ANALYSIS
SIMULATION
TEMPERATURE RANGE 0400-1000 K
TEMPERATURE RANGE 1000-4000 K
Trans-2-methylbutenoate