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    Autoignition Characteristics of Ethers Blended with Low Cetane Distillates

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    MS_revised_v3_wo_highlighted_changes.pdf
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    Description:
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    Type
    Article
    Authors
    Nicolle, André
    Naser, Nimal cc
    Javed, Tamour
    Rankovic, Nicolas
    Sarathy, Mani cc
    KAUST Department
    Chemical Engineering Program
    Chemical and Biological Engineering
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Mechanical Engineering
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2019-06-25
    Embargo End Date
    2020-06-25
    Permanent link to this record
    http://hdl.handle.net/10754/656033
    
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    Abstract
    The introduction of high cetane components has enabled the use of low cetane base gasoline in compression ignition engines. This study provides an understanding of the autoignition characteristics of various ethers blended with light distillates. The spontaneous ignition of mixtures was herein studied both experimentally [ignition quality tester (IQT)] and computationally, allowing the impacts of distillate composition, ether structure, and reaction progress on key ignition pathways to be determined. Various multicomponent base fuel surrogates were formulated to closely match actual fuel composition, thereby accurately simulating the interplay between distillates and oxygenates. Despite its lower cetane number, di-n-butyl ether (DNBE) was found to promote a more vigorous ignition than diethylether. However, OH radical scavenging by p-xylene counteracts the DNBE effect. Two preignition phases may be distinguished, namely, oxidation initiation by ether and subsequent chemical runaway involving simultaneously fuel and ether. According to the present kinetic mechanism, direct cross-reactions between ether radicals and light distillate components have little impact on the ignition delay time under the IQT operating conditions. As ignition progress increases, ether contribution to OH production decreases and oxidation paths related to aliphatic and cyclic alkanes become dominant. In the case of polyoxymethylene methyl ethers, the extra production of formaldehyde during the ignition phase does not impair the overall reactivity. The respective effects of OME1 and OME3 on ignition may be explained by the emergence of a new OH production path from OME3 oxidation products, while methyl formate production from OME1 acts as an OH radical sink. Even though locally lean zones of the IQT reactor may favor specifically neopentane oxidation at the expense of n-hexane, the new OH production path remains active over a wide range of conditions. Overall, the present detailed model qualitatively captures the nonlinear impact of various ethers on autoignition over the 15–30 DCN range, which makes it attractive for optimizing low cetane fuel formulation.
    Citation
    Nicolle, A., Naser, N., Javed, T., Rankovic, N., & Sarathy, S. M. (2019). Autoignition Characteristics of Ethers Blended with Low Cetane Distillates. Energy & Fuels, 33(7), 6775–6787. doi:10.1021/acs.energyfuels.9b00571
    Sponsors
    The authors thank Ernesto Sandoval for performing MUM-PCE calculations and Nadiya Nair for reviewing the manuscript. The work at King Abdullah University of Science and Technology (KAUST) was supported by the KAUST Clean Fuels Consortium (KCFC) and its member companies.
    Publisher
    American Chemical Society (ACS)
    Journal
    Energy & Fuels
    DOI
    10.1021/acs.energyfuels.9b00571
    Additional Links
    http://pubs.acs.org/doi/10.1021/acs.energyfuels.9b00571
    ae974a485f413a2113503eed53cd6c53
    10.1021/acs.energyfuels.9b00571
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Chemical Engineering Program; Mechanical Engineering Program; Mechanical Engineering Program; Clean Combustion Research Center; Clean Combustion Research Center

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