Modeling the auto-ignition of oxygenated fuels using a multistep model

Elisa Toulson, Casey M. Allen, Dennis J. Miller, Tonghun Lee

    Research output: Research - peer-reviewArticle

    • 8 Citations

    Abstract

    The research presented here describes the application of a multistep (8-step) autoignition model to oxygenated fuels such as alcohols and esters in a rapid compression machine. This modeling concept is aimed at capturing the ignition behavior of new oxygenated fuel blends, where detailed or reduced chemical kinetics data are not available. The predicted ignition delays from the multistep autoignition model using the biodiesel surrogate fuel methyl butanoate are validated against results attained using a detailed chemical kinetic mechanism (Dooley, S.; Curran, H.J.; Simmie, J.M. Combust. Flame 2008, 153 (1-2), 2-32.) in conjunction with CHEMKIN. Once the multistep model constants were calibrated for methyl butanoate, the model showed good agreement with the detailed mechanism ignition delays, but with significantly reduced computational time. The multistep model was tested over a compressed temperature range of 750-925 K, compressed pressures from 10 to 46 atm and equivalence ratios from 0.5 to stoichiometric, with the percent relative error in the ignition delay between the multistep and CHEMKIN modeling found to be less than 15%. Copyrigh

    LanguageEnglish (US)
    Pages888-896
    Number of pages9
    JournalEnergy and Fuels
    Volume24
    Issue number2
    DOIs
    StatePublished - Feb 18 2010

    Profile

    Ignition
    Reaction kinetics
    Biofuels
    Esters
    Alcohols
    Temperature
    Biodiesel

    ASJC Scopus subject areas

    • Chemical Engineering(all)
    • Energy Engineering and Power Technology
    • Fuel Technology

    Cite this

    Modeling the auto-ignition of oxygenated fuels using a multistep model. / Toulson, Elisa; Allen, Casey M.; Miller, Dennis J.; Lee, Tonghun.

    In: Energy and Fuels, Vol. 24, No. 2, 18.02.2010, p. 888-896.

    Research output: Research - peer-reviewArticle

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