Modeling the autoignition of fuel blends with a multistep model

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

    Research output: Contribution to journalArticle

    • 4 Citations

    Abstract

    There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.

    Original languageEnglish (US)
    Pages (from-to)632-639
    Number of pages8
    JournalEnergy and Fuels
    Volume25
    Issue number2
    DOIs
    StatePublished - Feb 17 2011

    Profile

    Anthralin
    Heptane
    Biodiesel
    Suckling Animals
    Ignition
    Avian Leukosis
    Cheyne-Stokes Respiration
    Bile Pigments
    Alkylation
    Kinetics
    Diesel engines
    Engines
    Oxidation

    ASJC Scopus subject areas

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

    Cite this

    Modeling the autoignition of fuel blends with a multistep model. / Toulson, Elisa; Allen, Casey M.; Miller, Dennis J.; McFarlane, Joanna; Schock, Harold J.; Lee, Tonghun.

    In: Energy and Fuels, Vol. 25, No. 2, 17.02.2011, p. 632-639.

    Research output: Contribution to journalArticle

    Toulson, Elisa; Allen, Casey M.; Miller, Dennis J.; McFarlane, Joanna; Schock, Harold J.; Lee, Tonghun / Modeling the autoignition of fuel blends with a multistep model.

    In: Energy and Fuels, Vol. 25, No. 2, 17.02.2011, p. 632-639.

    Research output: Contribution to journalArticle

    @article{6fc6fde859c54bfbb43b0bddfd0b615a,
    title = "Modeling the autoignition of fuel blends with a multistep model",
    abstract = "There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.",
    author = "Elisa Toulson and Allen, {Casey M.} and Miller, {Dennis J.} and Joanna McFarlane and Schock, {Harold J.} and Tonghun Lee",
    year = "2011",
    month = "2",
    doi = "10.1021/ef101238d",
    volume = "25",
    pages = "632--639",
    journal = "Energy & Fuels",
    issn = "0887-0624",
    publisher = "American Chemical Society",
    number = "2",

    }

    TY - JOUR

    T1 - Modeling the autoignition of fuel blends with a multistep model

    AU - Toulson,Elisa

    AU - Allen,Casey M.

    AU - Miller,Dennis J.

    AU - McFarlane,Joanna

    AU - Schock,Harold J.

    AU - Lee,Tonghun

    PY - 2011/2/17

    Y1 - 2011/2/17

    N2 - There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.

    AB - There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels whose blends have been used in the past as a surrogate for biodiesel. The autoignition is predicted using a multistep (8-step) model in order to reduce computational time and make this a viable tool for implementation into engine simulation codes. A detailed reaction mechanism for n-heptane-methyl butanoate blends was used as a basis for validating the multistep model results. The ignition delay trends predicted by the multistep model for the n-heptane-methyl butanoate blends matched well with that of the detailed CHEMKIN model for the majority of conditions tested.

    UR - http://www.scopus.com/inward/record.url?scp=79951932220&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=79951932220&partnerID=8YFLogxK

    U2 - 10.1021/ef101238d

    DO - 10.1021/ef101238d

    M3 - Article

    VL - 25

    SP - 632

    EP - 639

    JO - Energy & Fuels

    T2 - Energy & Fuels

    JF - Energy & Fuels

    SN - 0887-0624

    IS - 2

    ER -