• Login
    View Item 
    •   Home
    • Research
    • Articles
    • View Item
    •   Home
    • Research
    • Articles
    • 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

    Quantitative NMR Spectroscopy for the Analysis of Fuels: A Case Study of FACE Gasoline F

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Type
    Article
    Authors
    Ure, Andrew D. cc
    O’Brien, John E.
    Dooley, Stephen
    Date
    2019-09-07
    Embargo End Date
    2020-09-07
    Submitted Date
    2019-04-02
    Permanent link to this record
    http://hdl.handle.net/10754/661382
    
    Metadata
    Show full item record
    Abstract
    A detailed experimental methodology is outlined, which allows for the measurement of quantitative 1H and 13C nuclear magnetic resonance (NMR) spectra of liquid hydrocarbons. Optimal experimental conditions are identified, which allow for the collection of entirely quantitative 1H and 13C NMR spectra; the most significant among these are shown to be the choice of solvent and the delay time utilized. A best practice for the interpretation of the measured spectra that utilizes heteronuclear single quantum coherence (HSQC) NMR spectroscopy is outlined. Use of the HSQC method allows for the expeditious determination of fuel-specific integral regions. Importantly, the use of HSQC is shown to be a convenient method for the identification of overlapping peaks. The fidelity of both 1H and 13C NMR spectroscopy for the analysis of liquid fuels is demonstrated through the analysis of a range of reference fuels of known composition. Atom type populations are calculated for the reference fuels using a defined set of operating equations. In general, the NMR spectroscopy measured atom type populations show a strong agreement with the known atom type populations. The uncertainty associated with these measurements is determined to be <3%; however, this does not take into account overlapping peaks. The experimental methodology is applied to the analysis of FACE Gasoline F. The NMR-derived atom type population is shown to be in good agreement with the previously reported detailed hydrocarbon analysis (DHA). Additionally, the potential for a synergistic relationship between NMR spectroscopy and DHA is highlighted through the identification of molecules present in FACE Gasoline F that were misidentified by the DHA.
    Citation
    Ure, A. D., O’Brien, J. E., & Dooley, S. (2019). Quantitative NMR Spectroscopy for the Analysis of Fuels: A Case Study of FACE Gasoline F. Energy & Fuels, 33(11), 11741–11756. doi:10.1021/acs.energyfuels.9b01019
    Sponsors
    Work at Trinity College was funded by Science Foundation Ireland under award 16/ERCD/3685 and also as part of the “Future Fuels” Competitive Center Funding (CCF) program at King Abdullah University of Science and Technology.
    Publisher
    American Chemical Society (ACS)
    Journal
    Energy & Fuels
    DOI
    10.1021/acs.energyfuels.9b01019
    Additional Links
    https://pubs.acs.org/doi/abs/10.1021/acs.energyfuels.9b01019
    ae974a485f413a2113503eed53cd6c53
    10.1021/acs.energyfuels.9b01019
    Scopus Count
    Collections
    Articles

    entitlement

     
    DSpace software copyright © 2002-2021  DuraSpace
    Quick Guide | Contact Us | Send Feedback
    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.