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    Experimental and numerical study of polycyclic aromatic hydrocarbon formation in ethylene laminar co-flow diffusion flames

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    Type
    Article
    Authors
    Jin, Hanfeng cc
    Guo, Junjun cc
    Li, Tianyu
    Zhou, Zhongyue
    Im, Hong G. cc
    Farooq, Aamir cc
    KAUST Department
    Clean Combustion Research Centre, Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
    Clean Combustion Research Center
    Physical Science and Engineering (PSE) Division
    Date
    2021
    Embargo End Date
    2022-11-27
    Submitted Date
    2020-01-13
    Permanent link to this record
    http://hdl.handle.net/10754/666360
    
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    Abstract
    Recent literature kinetic studies revealed the importance of new mechanisms for polycyclic aromatic hydrocarbon (PAH) and soot inception beyond hydrogen–abstraction–acetylene–addition (HACA) and hydrogen–abstraction–vinylacetylene–addition (HAVA) mechanisms in the combustion of ethylene and other hydrocarbons. Co-flow diffusion flame is a canonical flame used to investigate the interaction between fluid dynamics and PAH chemistry. In this study, supersonic molecular beam sampling technique was utilized for the first time with synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) to measure laminar co-flow diffusion flame at atmospheric pressure. We report quantitative measurement of precursor radicals as well as critical intermediates and odd carbon number PAH species. A custom-designed computational code, based on OpenFOAM and Cantera, was adopted to simulate laminar co-flow diffusion flames with literature kinetic model. Chemical kinetic analyses show that addition reactions of odd carbon number species provide considerable contribution to PAH formation processes beside HACA and HAVA mechanisms. Reasonable mass growth reactions are postulated for aromatic species with odd carbon numbers, such as ethynyl-indene, fluorene, benzo-indene, which need further investigations. Reactions of resonantly stabilized radicals followed by ring expansion are shown to be critical for both odd and even carbon number aromatics, and are suggested to be included in future PAH models.
    Citation
    Jin, H., Guo, J., Li, T., Zhou, Z., Im, H. G., & Farooq, A. (2021). Experimental and numerical study of polycyclic aromatic hydrocarbon formation in ethylene laminar co-flow diffusion flames. Fuel, 289, 119931. doi:10.1016/j.fuel.2020.119931
    Sponsors
    Research reported in this publication was funded by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST) and National Natural Science Foundation of China(11675111). The computational resources were provided by KAUST Supercomputing Laboratory (KSL). We appreciate the great help in experiment from Dr. Yizun Wang, Dr. Jiuzhong Yang (University of Science and Technology of China), and Prof. Fei Qi (Shanghai Jiao Tong University).
    Publisher
    Elsevier
    Journal
    Fuel
    DOI
    10.1016/j.fuel.2020.119931
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.fuel.2020.119931
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Clean Combustion Research Center

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