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    Experimental and kinetic modeling study of tetralin: A naphtheno-aromatic fuel for gasoline, jet and diesel surrogates

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    Tetralin_PROCI_revised_final_unmarked.pdf
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    1.120Mb
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    Description:
    Accepted manuscript
    Embargo End Date:
    2022-10-03
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    Type
    Article
    Authors
    Issayev, Gani cc
    Djebbi, Khalil
    Kukkadapu, Goutham cc
    Mehl, Marco cc
    Wagnon, Scott W. cc
    Pitz, William J.
    Farooq, Aamir cc
    KAUST Department
    Chemical Kinetics & Laser Sensors Laboratory
    Clean Combustion Research Center
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2020-10-03
    Online Publication Date
    2020-10-03
    Print Publication Date
    2020-10
    Embargo End Date
    2022-10-03
    Submitted Date
    2019-11-06
    Permanent link to this record
    http://hdl.handle.net/10754/665588
    
    Metadata
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    Abstract
    Distillate fuels contain significant proportions of naphtheno-aromatic components and tetralin is a suitable surrogate component to represent this molecular moiety. The presence of aromatic and naphthyl rings makes kinetic modeling of tetralin very challenging. Primary radicals formed during the oxidation of tetralin can be aryl, benzylic or paraffinic in nature. Using available information on reaction paths and rate constants of naphthenes and alkyl-aromatics, a kinetic model of tetralin has been developed in the current study with emphasis on low-temperature chemistry and high-pressure conditions. Due to the lack of high-level quantum chemical calculations on reaction pathways of tetralin, analogous rates from ab-initio studies on benzylic and paraffinic radicals have been adopted here. Some modifications to the reaction rate rules are incorporated to account for the unique characteristics of tetralin's molecular structure. Important reaction channels have been identified using reaction path and brute force sensitivity analyses. In order to investigate the model performance at low temperatures, new experiments are carried out in a rapid compression machine on blends of tetralin and 3-methylpentane. Blending of low-reactivity tetralin with a high-reactivity alkane allowed the investigation of tetralin ignition at very low temperatures (665 – 856 K). The kinetic model developed in the current study is found to predict the current experiments and literature data adequately. The new model will aid in high-fidelity surrogate predictions at engine-relevant conditions.
    Citation
    Issayev, G., Djebbi, K., Kukkadapu, G., Mehl, M., Wagnon, S. W., Pitz, W. J., & Farooq, A. (2020). Experimental and kinetic modeling study of tetralin: A naphtheno-aromatic fuel for gasoline, jet and diesel surrogates. Proceedings of the Combustion Institute. doi:10.1016/j.proci.2020.07.059
    Sponsors
    The work of KAUST authors was funded by the Office of Sponsored Research (OSR) at King Abdullah University of Science and Technology (KAUST). The work at LLNL is supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office (program manager, Mike Weismiller) and performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.
    Publisher
    Elsevier BV
    Journal
    Proceedings of the Combustion Institute
    DOI
    10.1016/j.proci.2020.07.059
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S1540748920304910
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.proci.2020.07.059
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

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