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    Intermediate species measurement during iso-butanol auto-ignition

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    Type
    Article
    Authors
    Ji, Weiqi
    Zhang, Peng
    He, Tanjin
    Wang, Zhi
    Tao, Ling
    He, Xin cc
    Law, Chung K.
    Date
    2015-10
    Permanent link to this record
    http://hdl.handle.net/10754/598658
    
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    Abstract
    © 2015 The Combustion Institute.Published by Elsevier Inc. All rights reserved. This work presents the time histories of intermediate species during the auto-ignition of iso-butanol at high pressure and intermediate temperature conditions obtained using a rapid compression machine and recently developed fast sampling system. Iso-butanol ignition delays were acquired for iso-butanol/O2 mixture with an inert/O2 ratio of 7.26, equivalence ratio of 0.4, in the temperature range of 840-950 K and at pressure of 25 bar. Fast sampling and gas chromatography were used to acquire and quantify the intermediate species during the ignition delay of the same mixture at P = 25.3 bar and T = 905 K. The ignition delay times and quantitative measurements of the mole fraction time histories of methane, ethene, propene, iso-butene, iso-butyraldehyde, iso-butanol, and carbon monoxide were compared with predictions from the detailed mechanisms developed by Sarathy et al., Merchant et al., and Cai et al. It is shown that while the Sarathy mechanism well predicts the overall ignition delay time, it overpredicts ethene by a factor of 6-10, underpredicts iso-butene by a factor of 2, and overpredicts iso-butyraldehyde by a factor of 2. Reaction path and sensitivity analyses were carried out to identify the reactions responsible for the observed inadequacy. The rates of iso-butanol hydrogen atom abstraction by OH radical and the beta-scission reactions of hydroxybutyl radicals were updated based on recently published quantum calculation results. Significant improvements were achieved in predicting ignition delay at high pressures (25 and 30 bar) and the species concentrations of ethene and iso-butene. However, the updated mechanism still overpredicts iso-butyraldehyde concentrations. Also, the updated mechanism degrades the prediction in ignition delay at lower pressure (15 bar) compared to the original mechanism developed by Sarathy et al.
    Citation
    Ji W, Zhang P, He T, Wang Z, Tao L, et al. (2015) Intermediate species measurement during iso-butanol auto-ignition. Combustion and Flame 162: 3541–3553. Available: http://dx.doi.org/10.1016/j.combustflame.2015.06.010.
    Sponsors
    The authors would like to acknowledge the valuable suggestions from Dr. S.M. Sarathy at KAUST in optimizing the mechanism. This work was supported by the National Natural Science Foundation of China (Grant no. 51476086) and the State Key Laboratory of Automotive Safety and Energy.
    Publisher
    Elsevier BV
    Journal
    Combustion and Flame
    DOI
    10.1016/j.combustflame.2015.06.010
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.combustflame.2015.06.010
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