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    Experimental and kinetic modeling study of 3-methylheptane in a jet-stirred reactor

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    Type
    Article
    Authors
    Karsenty, Florent
    Sarathy, Mani cc
    Togbé, Casimir
    Westbrook, Charles K.
    Dayma, Guillaume
    Dagaut, P.
    Mehl, Marco
    Pitz, William J.
    KAUST Department
    Biological and Environmental Sciences and Engineering (BESE) Division
    Chemical Engineering Program
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Physical Science and Engineering (PSE) Division
    Date
    2012-08-03
    Online Publication Date
    2012-08-03
    Print Publication Date
    2012-08-16
    Permanent link to this record
    http://hdl.handle.net/10754/564592
    
    Metadata
    Show full item record
    Abstract
    Improving the combustion of conventional and alternative fuels in practical applications requires the fundamental understanding of large hydrocarbon combustion chemistry. The focus of the present study is on a high-molecular-weight branched alkane, namely, 3-methylheptane, oxidized in a jet-stirred reactor. This fuel, along with 2-methylheptane, 2,5-dimethylhexane, and n-octane, are candidate surrogate components for conventional diesel fuels derived from petroleum, synthetic Fischer-Tropsch diesel and jet fuels derived from coal, natural gas, and/or biomass, and renewable diesel and jet fuels derived from the thermochemical treatment of bioderived fats and oils. This study presents new experimental results along with a low- and high-temperature chemical kinetic model for the oxidation of 3-methylheptane. The proposed model is validated against these new experimental data from a jet-stirred reactor operated at 10 atm, over the temperature range of 530-1220 K, and for equivalence ratios of 0.5, 1, and 2. Significant effort is placed on the understanding of the effects of methyl substitution on important combustion properties, such as fuel reactivity and species formation. It was found that 3-methylheptane reacts more slowly than 2-methylheptane at both low and high temperatures in the jet-stirred reactor. © 2012 American Chemical Society.
    Citation
    Karsenty, F., Sarathy, S. M., Togbé, C., Westbrook, C. K., Dayma, G., Dagaut, P., … Pitz, W. J. (2012). Experimental and Kinetic Modeling Study of 3-Methylheptane in a Jet-Stirred Reactor. Energy & Fuels, 26(8), 4680–4689. doi:10.1021/ef300852w
    Sponsors
    This work was performed under the auspices of the U.S. Department of Energy by the LLNL under Contract DE-AC52-07NA27344. The work at LLNL was supported by the Office of Naval Research (program manager Sharon Beermann-Curtin) and the Office of Vehicle Technologies, U.S. Department of Energy (program manager Gurpreet Singh). At CNRS, the research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement 291049-2G-CSafe. S. M. Sarathy acknowledges fellowship support from the Natural Sciences and Engineering Research Council of Canada (NSERC) and research funding from the King Abdullah University of Science and Technology.
    Publisher
    American Chemical Society (ACS)
    Journal
    Energy & Fuels
    DOI
    10.1021/ef300852w
    ae974a485f413a2113503eed53cd6c53
    10.1021/ef300852w
    Scopus Count
    Collections
    Articles; Biological and Environmental Science and Engineering (BESE) Division; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Clean Combustion Research Center

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