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    Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame

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    Type
    Article
    Authors
    Lucassen, Arnas
    Park, Sungwoo
    Hansen, Nils
    Sarathy, Mani cc
    KAUST Department
    Chemical Engineering Program
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2015
    Online Publication Date
    2014-06-16
    Print Publication Date
    2015
    Permanent link to this record
    http://hdl.handle.net/10754/575895
    
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    Abstract
    This 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.
    Citation
    Lucassen, A., Park, S., Hansen, N., & Sarathy, S. M. (2015). Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame. Proceedings of the Combustion Institute, 35(1), 813–820. doi:10.1016/j.proci.2014.05.008
    Sponsors
    The 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.
    Publisher
    Elsevier BV
    Journal
    Proceedings of the Combustion Institute
    DOI
    10.1016/j.proci.2014.05.008
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S154074891400011X
    https://www.osti.gov/biblio/1122350
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.proci.2014.05.008
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