Optimization of a multi-step model for the auto-ignition of dimethyl ether in a rapid compression machine

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

    Research output: Contribution to journalArticle

    • 10 Citations

    Abstract

    The research presented here describes the numerical optimization of a multi-step ignition model to predict the auto-ignition of dimethyl ether (DME) in a rapid compression machine. The multi-step modeling concept is aimed at capturing the ignition behavior of new oxygenated fuel blends, where detailed or reduced mechanisms are not available. Experimental data for the ignition of DME/O2/N2 mixtures at more than 60 different conditions were used by the optimizer to determine the 26 kinetic parameters of the multi-step model that are unique to each individual fuel or fuel blend. The optimization was performed for conditions with compressed pressures in the range of 10-20 bar, compressed temperatures from 615 to 735 K, and equivalence ratios of 0.43, 0.75, and 1.5. In this region, DME exhibits two-stage ignition behavior. The first and overall ignition delay characteristics predicted by the multi-step model with the DME-optimized constants show good agreement with the experimental data for the majority of conditions tested.

    Original languageEnglish (US)
    Pages (from-to)3510-3516
    Number of pages7
    JournalEnergy and Fuels
    Volume24
    Issue number6
    DOIs
    StatePublished - Jun 17 2010

    Profile

    Ignition
    Ethers
    Anthralin
    Suckling Animals
    Basement Membrane
    Acetanilides
    Caprylates
    Agglutination Tests
    Biogenic Amines
    Kinetic parameters
    Temperature

    ASJC Scopus subject areas

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

    Cite this

    Optimization of a multi-step model for the auto-ignition of dimethyl ether in a rapid compression machine. / Toulson, Elisa; Allen, Casey M.; Miller, Dennis J.; Schock, Harold J.; Lee, Tonghun.

    In: Energy and Fuels, Vol. 24, No. 6, 17.06.2010, p. 3510-3516.

    Research output: Contribution to journalArticle

    Toulson, Elisa; Allen, Casey M.; Miller, Dennis J.; Schock, Harold J.; Lee, Tonghun / Optimization of a multi-step model for the auto-ignition of dimethyl ether in a rapid compression machine.

    In: Energy and Fuels, Vol. 24, No. 6, 17.06.2010, p. 3510-3516.

    Research output: Contribution to journalArticle

    @article{5513708761e746b6beb9fe1ec1a7428b,
    title = "Optimization of a multi-step model for the auto-ignition of dimethyl ether in a rapid compression machine",
    abstract = "The research presented here describes the numerical optimization of a multi-step ignition model to predict the auto-ignition of dimethyl ether (DME) in a rapid compression machine. The multi-step modeling concept is aimed at capturing the ignition behavior of new oxygenated fuel blends, where detailed or reduced mechanisms are not available. Experimental data for the ignition of DME/O2/N2 mixtures at more than 60 different conditions were used by the optimizer to determine the 26 kinetic parameters of the multi-step model that are unique to each individual fuel or fuel blend. The optimization was performed for conditions with compressed pressures in the range of 10-20 bar, compressed temperatures from 615 to 735 K, and equivalence ratios of 0.43, 0.75, and 1.5. In this region, DME exhibits two-stage ignition behavior. The first and overall ignition delay characteristics predicted by the multi-step model with the DME-optimized constants show good agreement with the experimental data for the majority of conditions tested.",
    author = "Elisa Toulson and Allen, {Casey M.} and Miller, {Dennis J.} and Schock, {Harold J.} and Tonghun Lee",
    year = "2010",
    month = "6",
    doi = "10.1021/ef100249w",
    volume = "24",
    pages = "3510--3516",
    journal = "Energy & Fuels",
    issn = "0887-0624",
    publisher = "American Chemical Society",
    number = "6",

    }

    TY - JOUR

    T1 - Optimization of a multi-step model for the auto-ignition of dimethyl ether in a rapid compression machine

    AU - Toulson,Elisa

    AU - Allen,Casey M.

    AU - Miller,Dennis J.

    AU - Schock,Harold J.

    AU - Lee,Tonghun

    PY - 2010/6/17

    Y1 - 2010/6/17

    N2 - The research presented here describes the numerical optimization of a multi-step ignition model to predict the auto-ignition of dimethyl ether (DME) in a rapid compression machine. The multi-step modeling concept is aimed at capturing the ignition behavior of new oxygenated fuel blends, where detailed or reduced mechanisms are not available. Experimental data for the ignition of DME/O2/N2 mixtures at more than 60 different conditions were used by the optimizer to determine the 26 kinetic parameters of the multi-step model that are unique to each individual fuel or fuel blend. The optimization was performed for conditions with compressed pressures in the range of 10-20 bar, compressed temperatures from 615 to 735 K, and equivalence ratios of 0.43, 0.75, and 1.5. In this region, DME exhibits two-stage ignition behavior. The first and overall ignition delay characteristics predicted by the multi-step model with the DME-optimized constants show good agreement with the experimental data for the majority of conditions tested.

    AB - The research presented here describes the numerical optimization of a multi-step ignition model to predict the auto-ignition of dimethyl ether (DME) in a rapid compression machine. The multi-step modeling concept is aimed at capturing the ignition behavior of new oxygenated fuel blends, where detailed or reduced mechanisms are not available. Experimental data for the ignition of DME/O2/N2 mixtures at more than 60 different conditions were used by the optimizer to determine the 26 kinetic parameters of the multi-step model that are unique to each individual fuel or fuel blend. The optimization was performed for conditions with compressed pressures in the range of 10-20 bar, compressed temperatures from 615 to 735 K, and equivalence ratios of 0.43, 0.75, and 1.5. In this region, DME exhibits two-stage ignition behavior. The first and overall ignition delay characteristics predicted by the multi-step model with the DME-optimized constants show good agreement with the experimental data for the majority of conditions tested.

    UR - http://www.scopus.com/inward/record.url?scp=77953769627&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=77953769627&partnerID=8YFLogxK

    U2 - 10.1021/ef100249w

    DO - 10.1021/ef100249w

    M3 - Article

    VL - 24

    SP - 3510

    EP - 3516

    JO - Energy & Fuels

    T2 - Energy & Fuels

    JF - Energy & Fuels

    SN - 0887-0624

    IS - 6

    ER -