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    Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study

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    Type
    Article
    Authors
    Wang, Zhandong cc
    Zhao, Long
    Wang, Yu cc
    Bian, Huiting
    Zhang, Lidong
    Zhang, Feng
    Li, Yuyang
    Sarathy, Mani cc
    Qi, Fei
    KAUST Department
    Chemical Engineering Program
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Physical Science and Engineering (PSE) Division
    Date
    2015-07
    Permanent link to this record
    http://hdl.handle.net/10754/564193
    
    Metadata
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    Abstract
    Ethylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367-375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions. © 2015 The Combustion Institute.
    Citation
    Wang, Z., Zhao, L., Wang, Y., Bian, H., Zhang, L., Zhang, F., … Qi, F. (2015). Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study. Combustion and Flame, 162(7), 2873–2892. doi:10.1016/j.combustflame.2015.03.017
    Publisher
    Elsevier BV
    Journal
    Combustion and Flame
    DOI
    10.1016/j.combustflame.2015.03.017
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.combustflame.2015.03.017
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Clean Combustion Research Center

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