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    Chemical kinetics of hydroxyl reactions with cyclopentadiene and indene

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    Name:
    OH_CP_IND.Final.pdf
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    319.9Kb
    Format:
    PDF
    Description:
    Accepted manuscript
    Embargo End Date:
    2022-03-17
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    Type
    Article
    Authors
    Jin, Hanfeng
    Liu, Dapeng cc
    Zou, Jiabiao
    Hao, Junyu
    Shao, Can
    Sarathy, Mani cc
    Farooq, Aamir cc
    KAUST Department
    Chemical Engineering Program
    Chemical Kinetics & Laser Sensors Laboratory
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2020-04-17
    Online Publication Date
    2020-04-17
    Print Publication Date
    2020-07
    Embargo End Date
    2022-03-17
    Submitted Date
    2020-01-03
    Permanent link to this record
    http://hdl.handle.net/10754/662630
    
    Metadata
    Show full item record
    Abstract
    Oxidation reactions of highly unsaturated cyclic hydrocarbons are very important in combustion, competing with their participation in PAH and soot growth. One of the key oxidation pathways at combustion conditions is the reaction with hydroxyl radicals. Cyclopentadiene (C5H6) and indene (C9H8) are typical PAH precursors, which have highly unsaturated penta-ring structure. In this study, rate coefficients of the reactions of hydroxyl radical with cyclopentadiene and indene were measured behind reflected shock waves over the temperature range of 828–1390 K and pressure near 1 atm. Hydroxyl radicals were monitored by a narrow line-width laser absorption near 306.7 nm. The measured rate coefficients may be expressed as kC5H6+OH=3.68−0.23 +0.27×1013e−(1742.5−77 +75)/T and kC9H8+OH=1.44−0.14 +0.10×1013e−(1497.8−72 +130)/T cm3 mol−1 s−1. Our experimental results showed that the reaction of hydroxyl radicals with cyclopentadiene is about two times faster than that of indene, and the indene + OH reaction exhibited a relatively weaker temperature dependence. Chemical kinetic simulations, carried out with a detailed model, showed the sensitivity of model performance to these reactions and the potential of model improvement with our measured rate coefficients.
    Citation
    Jin, H., Liu, D., Zou, J., Hao, J., Shao, C., Sarathy, M., & Farooq, A. (2020). Chemical kinetics of hydroxyl reactions with cyclopentadiene and indene. Combustion and Flame, 217, 48–56. doi:10.1016/j.combustflame.2020.03.016
    Sponsors
    Research reported in this publication was funded by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST). We are thankful for some discussions with Dr. Xiaoyuan Zhang, Prof. Lili Ye, Prof. Lidong Zhang, and Dr. Binod Giri.
    Publisher
    Elsevier BV
    Journal
    Combustion and Flame
    DOI
    10.1016/j.combustflame.2020.03.016
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S0010218020301176
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.combustflame.2020.03.016
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Mechanical Engineering Program; Clean Combustion Research Center

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