• Login
    View Item 
    •   Home
    • Office of Sponsored Research (OSR)
    • KAUST Funded Research
    • Publications Acknowledging KAUST Support
    • View Item
    •   Home
    • Office of Sponsored Research (OSR)
    • KAUST Funded Research
    • Publications Acknowledging KAUST Support
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Browse

    All of KAUSTCommunitiesIssue DateSubmit DateThis CollectionIssue DateSubmit Date

    My Account

    Login

    Quick Links

    Open Access PolicyORCID LibguidePlumX LibguideSubmit an Item

    Statistics

    Display statistics

    Chemical functional group descriptor for ignition propensity of large hydrocarbon liquid fuels

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Type
    Article
    Authors
    Dussan, Karla cc
    Won, Sang Hee
    Ure, Andrew D.
    Dryer, Frederick L.
    Dooley, Stephen
    Date
    2018-08-30
    Online Publication Date
    2018-08-30
    Print Publication Date
    2018-08
    Permanent link to this record
    http://hdl.handle.net/10754/629802
    
    Metadata
    Show full item record
    Abstract
    The chemical functional group approach is investigated to verify the fundamental applicability of low-dimensional descriptors in the prediction of global combustion behavior, as described by homogeneous reflected shock ignition delay times. Three key chemical functional groups, CH2, CH3 and benzyl-type, are used to represent n-alkyl, iso-alkyl, and aromatic functionalities, respectively. To examine whether such descriptors can appropriately reflect the influences of these functionalities on ignition delay, Quantitative Structure-Property Relationship (QSPR) regression analysis is performed with the formulation of analytical models based on a fundamental Arrhenius-type description. The models are trained using literature measurements of reflected shock ignition delay times for stoichiometric fuel/air mixtures at 20 atm. Sensitivity analyses applied to the QSPR regression models show that the CH2 functional group dominates chemical kinetic behaviors at low temperature, while the chemical kinetic impacts of CH2, CH3, and benzyl-type functional groups all diminish as temperature increases. Further analyses of constant-volume adiabatic ignition delay predictions using detailed chemical kinetic models demonstrate influences of n-alkyl, iso-alkyl, and aromatic functionalities at both low and high temperature, consistent with those found for the QSPR regression models. Finally, 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopy is used to directly quantify the chemical functional group compositions of both petroleum-derived and alternative jet fuels. Combining the QSPR model with NMR spectra interpretation, the applicability of current approach as an expeditious tool to accurately characterize the ignition propensity of real transportation fuels is demonstrated by comparison with experimental measurements.
    Citation
    Dussan K, Won SH, Ure AD, Dryer FL, Dooley S (2018) Chemical functional group descriptor for ignition propensity of large hydrocarbon liquid fuels. Proceedings of the Combustion Institute. Available: http://dx.doi.org/10.1016/j.proci.2018.05.079.
    Sponsors
    Work by SHW and FLD was supported by the Air Force Research Laboratory and Universal Technology Corporation (Grant number FA8650-14-d-2411). Work by K.D., AU and S.D. was supported by Science Foundation Ireland under grant 16/ERCD/3685 and the “Future Fuels” Competitive Center Funding (CCF) at King Abdullah University of Science and Technology. SHW was partially supported by Agency for Defense Development of Korea under the contract UD150039GD.
    Publisher
    Elsevier BV
    Journal
    Proceedings of the Combustion Institute
    DOI
    10.1016/j.proci.2018.05.079
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.proci.2018.05.079
    Scopus Count
    Collections
    Publications Acknowledging KAUST Support

    entitlement

     
    DSpace software copyright © 2002-2021  DuraSpace
    Quick Guide | Contact Us | KAUST University Library
    Open Repository is a service hosted by 
    Atmire NV
     

    Export search results

    The export option will allow you to export the current search results of the entered query to a file. Different formats are available for download. To export the items, click on the button corresponding with the preferred download format.

    By default, clicking on the export buttons will result in a download of the allowed maximum amount of items. For anonymous users the allowed maximum amount is 50 search results.

    To select a subset of the search results, click "Selective Export" button and make a selection of the items you want to export. The amount of items that can be exported at once is similarly restricted as the full export.

    After making a selection, click one of the export format buttons. The amount of items that will be exported is indicated in the bubble next to export format.