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    Polycyclic aromatic hydrocarbons in pyrolysis of gasoline surrogates ( n -heptane/ iso -octane/toluene)

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    TPRF pyrolysis_R1.pdf
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    Description:
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    Type
    Article
    Authors
    Shao, Can
    Wang, Haoyi
    Atef, Nour
    Wang, Zhandong cc
    Chen, Bingjie cc
    Almalki, Maram M. cc
    Zhang, Yan
    Cao, Chuangchuang
    Yang, Jiuzhong cc
    Sarathy, Mani cc
    KAUST Department
    Chemical Engineering Program
    Chemical Science Program
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    KAUST Grant Number
    OSR-2016-CRG5-3022
    Date
    2018-07-18
    Online Publication Date
    2018-07-18
    Print Publication Date
    2019
    Permanent link to this record
    http://hdl.handle.net/10754/630256
    
    Metadata
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    Abstract
    Toluene primary reference fuels (TPRFs), i.e., a ternary mixture of toluene, n-heptane and iso-octane, better match the combustion properties of real gasoline fuels compared to simpler binary n-heptane/iso-octane mixtures. While there has been significant research on combustion of n-heptane/iso-octane mixtures, fundamental data characterizing polycyclic aromatic hydrocarbons (PAHs) formation in TPRFs combustion is lacking, especially under pyrolysis conditions. In this work, the pyrolysis of two TPRF mixtures (TPRF70 and TPRF97.5), representing low octane (research octane number 70) and high octane (research octane number 97.5) gasolines, respectively, was studied in a jet-stirred reactor coupled with gas chromatography (GC) analysis and a flow reactor coupled with synchrotron vacuum ultraviolet photoionization molecular beam mass spectrometry (SVUV-PI-MBMS). The experiments indicate that pyrolysis of TPRF70 produced slightly higher benzene and naphthalene than TPRF97.5. In contrast, TPRF97.5 pyrolysis produced slightly higher phenanthrene and pyrene than TPRF70. The mole fraction profiles of aromatics from benzene to pyrene were used to validate TPRF kinetic models from the literature. Specifically, the KAUST-Aramco PAH Mech 1-GS kinetic model was updated to match and elucidate the experimental observations. The kinetic analysis reveals that propargyl radical is a crucial intermediate forming benzene and naphthalene, while benzyl radical, generated from the dehydrogenation of toluene, plays an important role in formation of larger PAHs.
    Citation
    Shao C, Wang H, Atef N, Wang Z, Chen B, et al. (2018) Polycyclic aromatic hydrocarbons in pyrolysis of gasoline surrogates ( n -heptane/ iso -octane/toluene). Proceedings of the Combustion Institute. Available: http://dx.doi.org/10.1016/j.proci.2018.06.087.
    Sponsors
    This work was supported by King Abdullah University of Science and Technology (KAUST), Office of Sponsored Research (OSR) under Award No. OSR-2016-CRG5-3022, and Saudi Aramco under the FUELCOM program; National Natural Science Foundation of China (51706217).
    Publisher
    Elsevier BV
    Journal
    Proceedings of the Combustion Institute
    DOI
    10.1016/j.proci.2018.06.087
    Additional Links
    https://www.sciencedirect.com/science/article/pii/S1540748918302700
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.proci.2018.06.087
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; Chemical Engineering Program; Mechanical Engineering Program; Clean Combustion Research Center

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