A kinetic and mass transfer model for glycerol hydrogenolysis in a trickle-bed reactor

Yaoyan Xi, Jonathan E. Holladay, John G. Frye, Aaron A. Oberg, James E. Jackson, Dennis J. Miller

    Research output: Research - peer-reviewArticle

    • 13 Citations

    Abstract

    A detailed model of glycerol hydrogenolysis in a trickle-bed reactor is presented that includes a mechanistically based kinetic rate expression, energy transport, mass transport across the gas-liquid and liquid-solid interfaces, intraparticle catalyst mass transfer, and partial wetting of the bed. Optimal kinetic parameters for the glycerol hydrogenolysis rate expression were determined via nonlinear regression analysis on the basis of experiments conducted in a laboratory-scale trickle-bed reactor over a broad range of operating conditions. Model predictions agree well with experimental data and accurately predict trends in reactor performance with liquid flow rate, temperature, hydrogen pressure, and base promoter concentration. The model is thus a useful tool for predicting laboratory reactor performance and for design of commercial-scale trickle-bed systems.

    LanguageEnglish (US)
    Pages1304-1312
    Number of pages9
    JournalOrganic Process Research and Development
    Volume14
    Issue number6
    DOIs
    StatePublished - Nov 19 2010

    Profile

    hydrogenolysis
    glycerols
    mass transfer
    beds
    reactors
    kinetics
    Hydrogenolysis
    Glycerol
    Mass transfer
    Kinetics
    Liquids
    Kinetic parameters
    Regression analysis
    Wetting
    Hydrogen
    Gases
    Flow rate
    Catalysts
    Experiments
    Temperature

    ASJC Scopus subject areas

    • Organic Chemistry
    • Physical and Theoretical Chemistry

    Cite this

    A kinetic and mass transfer model for glycerol hydrogenolysis in a trickle-bed reactor. / Xi, Yaoyan; Holladay, Jonathan E.; Frye, John G.; Oberg, Aaron A.; Jackson, James E.; Miller, Dennis J.

    In: Organic Process Research and Development, Vol. 14, No. 6, 19.11.2010, p. 1304-1312.

    Research output: Research - peer-reviewArticle

    Xi, Yaoyan ; Holladay, Jonathan E. ; Frye, John G. ; Oberg, Aaron A. ; Jackson, James E. ; Miller, Dennis J./ A kinetic and mass transfer model for glycerol hydrogenolysis in a trickle-bed reactor. In: Organic Process Research and Development. 2010 ; Vol. 14, No. 6. pp. 1304-1312
    @article{abb68cba2edd4697bfd4db17d83bd4fa,
    title = "A kinetic and mass transfer model for glycerol hydrogenolysis in a trickle-bed reactor",
    abstract = "A detailed model of glycerol hydrogenolysis in a trickle-bed reactor is presented that includes a mechanistically based kinetic rate expression, energy transport, mass transport across the gas-liquid and liquid-solid interfaces, intraparticle catalyst mass transfer, and partial wetting of the bed. Optimal kinetic parameters for the glycerol hydrogenolysis rate expression were determined via nonlinear regression analysis on the basis of experiments conducted in a laboratory-scale trickle-bed reactor over a broad range of operating conditions. Model predictions agree well with experimental data and accurately predict trends in reactor performance with liquid flow rate, temperature, hydrogen pressure, and base promoter concentration. The model is thus a useful tool for predicting laboratory reactor performance and for design of commercial-scale trickle-bed systems.",
    author = "Yaoyan Xi and Holladay, {Jonathan E.} and Frye, {John G.} and Oberg, {Aaron A.} and Jackson, {James E.} and Miller, {Dennis J.}",
    year = "2010",
    month = "11",
    doi = "10.1021/op900336a",
    volume = "14",
    pages = "1304--1312",
    journal = "Organic Process Research and Development",
    issn = "1083-6160",
    publisher = "American Chemical Society",
    number = "6",

    }

    TY - JOUR

    T1 - A kinetic and mass transfer model for glycerol hydrogenolysis in a trickle-bed reactor

    AU - Xi,Yaoyan

    AU - Holladay,Jonathan E.

    AU - Frye,John G.

    AU - Oberg,Aaron A.

    AU - Jackson,James E.

    AU - Miller,Dennis J.

    PY - 2010/11/19

    Y1 - 2010/11/19

    N2 - A detailed model of glycerol hydrogenolysis in a trickle-bed reactor is presented that includes a mechanistically based kinetic rate expression, energy transport, mass transport across the gas-liquid and liquid-solid interfaces, intraparticle catalyst mass transfer, and partial wetting of the bed. Optimal kinetic parameters for the glycerol hydrogenolysis rate expression were determined via nonlinear regression analysis on the basis of experiments conducted in a laboratory-scale trickle-bed reactor over a broad range of operating conditions. Model predictions agree well with experimental data and accurately predict trends in reactor performance with liquid flow rate, temperature, hydrogen pressure, and base promoter concentration. The model is thus a useful tool for predicting laboratory reactor performance and for design of commercial-scale trickle-bed systems.

    AB - A detailed model of glycerol hydrogenolysis in a trickle-bed reactor is presented that includes a mechanistically based kinetic rate expression, energy transport, mass transport across the gas-liquid and liquid-solid interfaces, intraparticle catalyst mass transfer, and partial wetting of the bed. Optimal kinetic parameters for the glycerol hydrogenolysis rate expression were determined via nonlinear regression analysis on the basis of experiments conducted in a laboratory-scale trickle-bed reactor over a broad range of operating conditions. Model predictions agree well with experimental data and accurately predict trends in reactor performance with liquid flow rate, temperature, hydrogen pressure, and base promoter concentration. The model is thus a useful tool for predicting laboratory reactor performance and for design of commercial-scale trickle-bed systems.

    UR - http://www.scopus.com/inward/record.url?scp=78649646554&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=78649646554&partnerID=8YFLogxK

    U2 - 10.1021/op900336a

    DO - 10.1021/op900336a

    M3 - Article

    VL - 14

    SP - 1304

    EP - 1312

    JO - Organic Process Research and Development

    T2 - Organic Process Research and Development

    JF - Organic Process Research and Development

    SN - 1083-6160

    IS - 6

    ER -