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    A high temperature shock tube study of phenyl recombination reaction using laser absorption spectroscopy

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    Embargo End Date:
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    Type
    Article
    Authors
    Jin, Hanfeng cc
    Giri, Binod
    Liu, Dapeng cc
    Farooq, Aamir cc
    KAUST Department
    Chemical Kinetics & Laser Sensors Laboratory
    Clean Combustion Research Center
    Mechanical Engineering
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2020-08-14
    Online Publication Date
    2020-08-14
    Print Publication Date
    2020-08
    Embargo End Date
    2022-08-14
    Submitted Date
    2019-10-31
    Permanent link to this record
    http://hdl.handle.net/10754/664966
    
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    Abstract
    The chemistry of first aromatic ring, i.e., benzene (C6 H6) and phenyl radial (C6 H5), plays a key role in the growth of polycyclic aromatic hydrocarbons (PAHs) and ultimately soot formation. In this work, the self-recombination reaction of phenyl radicals was investigated over the temperature range of 950-1300 K and pressures near 1 atm by employing shock tube and laser absorption diagnostics. Phenyl radical was generated by the rapid thermal unimolecular dissociation of nitrosobenzene (C6 H5 NO), a clean precursor of C6 H5 radical. The reaction progress was monitored by detecting C6 H5 and NO simultaneously using visible laser absorption near 445 nm and mid-IR laser absorption near 5.517 μm, respectively. For the reaction C6 H5 NO → C6 H5 + NO (R1), our data show an excellent agreement with earlier reports. The high-pressure limiting rate coefficient, by combining all available data, may be expressed as k∞1 (T(K)) = 3.2 × 1066T-15.2 e-37743/Ts-1 . This work reports the temperature dependence of the absorption cross-section of phenyl radical at 445 nm for first time. Our experiments indicate that the self-reaction of phenyl radicals yielding biphenyl, C6 H5 + C6 H5 → C6 H5 C6 H5 (R2a), is a major channel. The rate coefficients of reaction (R2a) show a weak temperature dependence with an average value of k2a= (6.91 ±0.42) ×1012 cm3 mol-1s-1 in the temperature range of 950-1300 K. Our measured data, k2a ( T , P = 1.1-1.5 atm), are found to be close to the high-pressure limiting rate coefficients. Combining with the literature low-temperature data, the self-recombination reaction of phenyl radicals may be expressed as k∞2a (T = 300-1450 K) = 2.8 × 1017 T-1.44 e-540/T cm3 mol-1 s-1. The measurements of this study represent the first high-temperature direct experimental determination of the rate coefficients of this important prototype aromatic radical-radical reaction.
    Citation
    Jin, H., Giri, B. R., Liu, D., & Farooq, A. (2020). A high temperature shock tube study of phenyl recombination reaction using laser absorption spectroscopy. Proceedings of the Combustion Institute. doi:10.1016/j.proci.2020.06.164
    Sponsors
    Research reported in this publication was funded by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST).
    Publisher
    Elsevier BV
    Journal
    Proceedings of the Combustion Institute
    DOI
    10.1016/j.proci.2020.06.164
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S1540748920302509
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.proci.2020.06.164
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

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