Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame
KAUST DepartmentMechanical Engineering Program
Physical Sciences and Engineering (PSE) Division
Chemical and Biological Engineering Program
Clean Combustion Research Center
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AbstractThis paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model's capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. © 2014.
SponsorsThe measurements were performed within the "Flame Team" collaboration at the Advanced Light Source and we thank the students and postdocs for the help with the data acquisition. The experiments have profited from the expert technical assistance of Paul Fugazzi. A. L. and N.H. are supported by the Energy Frontier Research Center for Combustion Science (Grant No. DE-SC0001198). S.P. and S.M.S. acknowledge funding from the Clean Combustion Research Center (CCRC) at KAUST. The Advanced Light Source is supported by the Director, Office of Science, Basic Energy Sciences, US Department of Energy, under Contract No. DE-AC02-05CH11231. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000.