• 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 LibguideTheses and Dissertations LibguideSubmit an Item

    Statistics

    Display statistics

    Global sensitivity analysis of n-butanol ignition delay times to thermodynamics class and rate rule parameters

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Thumbnail
    Name:
    Hantouche2020.pdf
    Size:
    1.126Mb
    Format:
    PDF
    Description:
    Accepted manuscript
    Download
    Type
    Article
    Authors
    Hantouche, Mireille cc
    Sarathy, Mani cc
    Knio, Omar cc
    KAUST Department
    Applied Mathematics and Computational Science Program
    Chemical Engineering Program
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2020-09-14
    Online Publication Date
    2020-09-14
    Print Publication Date
    2020-12
    Submitted Date
    2020-06-30
    Permanent link to this record
    http://hdl.handle.net/10754/665238
    
    Metadata
    Show full item record
    Abstract
    We study the variability in the ignition delay time, τign, of n-butanol due to uncertainty in the enthalpies and entropies of the fuel and fuel radicals. A stoichiometric mixture reacting adiabatically at constant volume is considered, over a range of initial temperatures (700–1000 K) and pressures (10–80 bar). We develop a thermodynamic class approach to account for the variability in the thermodynamic properties of species of interest, and to define associated uncertainty ranges. To gain insight into the impact of the variability of the thermodynamic properties of individual species, a brute force sensitivity analysis is first performed. The results show that large variations in τign are mainly due to perturbations in the enthalpies of six species belonging to two thermodynamic classes. A refined 1D analysis is then conducted of the uncertain enthalpies and entropies of these six species. In particular, a complex, nonmonotonic dependence of τign on species enthalpies is observed, highlighting potential limitations in extrapolating local sensitivity results. The 1D analysis also shows that uncertainties in species entropies have a weaker impact on the variability in τign than the species enthalpies. A global sensitivity analysis of the impact of thermodynamic class uncertainties is then performed, namely using surrogates constructed using an adaptive pseudo-spectral method. The results indicate that the variability of τign is dominated by uncertainties in the classes associated with peroxy and hydroperoxide radicals. Lastly, we perform a combined sensitivity analysis of uncertainty in kinetic rates and thermodynamic properties. In particular, the results indicate that uncertainties in thermodynamic properties can induce variabilities in ignition delay time that are as large as those associated with kinetic rate uncertainties.
    Citation
    Hantouche, M., Sarathy, S. M., & Knio, O. M. (2020). Global sensitivity analysis of n-butanol ignition delay times to thermodynamics class and rate rule parameters. Combustion and Flame, 222, 355–369. doi:10.1016/j.combustflame.2020.09.002
    Sponsors
    The research reported in this publication was supported by King Abdullah University of Science and Technology (KAUST). The authors are grateful to Shimaa Gamil for helpful discussions.
    Publisher
    Elsevier BV
    Journal
    Combustion and Flame
    DOI
    10.1016/j.combustflame.2020.09.002
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S0010218020303862
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.combustflame.2020.09.002
    Scopus Count
    Collections
    Articles; Applied Mathematics and Computational Science Program; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Mechanical Engineering Program; Clean Combustion Research Center; Computer, Electrical and Mathematical Science and Engineering (CEMSE) Division

    entitlement

     
    DSpace software copyright © 2002-2023  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.