• 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

    Kinetics and thermochemistry of cyclohexadienes reactions with hydroxyl radicals

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Thumbnail
    Name:
    CHD_OH_revised_unHighlighted.pdf
    Size:
    847.8Kb
    Format:
    PDF
    Description:
    Accepted manuscript
    Embargo End Date:
    2022-09-04
    Download
    Type
    Article
    Authors
    Liu, Dapeng cc
    Giri, Binod
    Szőri, Milán cc
    Viskolcz, Béla
    Huynh, Lam K. cc
    Farooq, Aamir cc
    KAUST Department
    Chemical Kinetics & Laser Sensors Laboratory
    Clean Combustion Research Center
    Mechanical Engineering
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    KAUST Grant Number
    GINOP-2.3.4-15-2016-00004
    Date
    2020-09-04
    Online Publication Date
    2020-09-04
    Print Publication Date
    2020-09
    Embargo End Date
    2022-09-04
    Submitted Date
    2019-11-06
    Permanent link to this record
    http://hdl.handle.net/10754/665037
    
    Metadata
    Show full item record
    Abstract
    Cyclohexadienes (CHDs) are important intermediates in the pyrolysis and oxidation of many C 6 cyclic hydrocarbons. Under combustion relevant conditions, these dienes may either eliminate H 2 directly or lose H atoms sequentially to produce the first aromatic ring, i.e., benzene. This is one of the major reaction pathways for the formation of benzene from C 6 cyclic hydrocarbons. Despite its importance in PAH and soot forma- tion process, the chemistry of CHD has attracted less attention from the scientific community. In this work, we have investigated hydrogen abstraction reactions of 1,3- and 1,4-CHD by OH radicals using a shock tube and UV laser absorption over the temperature range of 900 – 1100 K and pressures of ∼1 –3 atm. Reaction kinetics was followed by monitoring OH radicals near 307 nm. At high temperatures, both isomers of CHDs are found to exhibit comparable reactivity with OH radicals. These reactions show a weak positive temper- ature dependence. Measured rate coefficients can be represented by the following Arrhenius expressions in units of cm 3 molecule −1 s −1 : k 1 ( 1 , 3 −CHD + OH ) = 1 . 76 ×10 −10 exp (−1761 K T )k 2 ( 1 , 4 −CHD + OH ) = 2 . 23 ×10 −10 exp (−1813 K T )To gain further insights into these reactions, various ab initio methods were employed to compute relevant thermochemical data. This study reports the first high-temperature kinetic data for cyclohexadienes which will be beneficial to improve the performance of the oxidation kinetic models of C6 cyclic hydrocarbons. © 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
    Citation
    Liu, D., Giri, B. R., Szőri, M., Viskolcz, B., Huynh, L. K., & Farooq, A. (2020). Kinetics and thermochemistry of cyclohexadienes reactions with hydroxyl radicals. Proceedings of the Combustion Institute. doi:10.1016/j.proci.2020.06.259
    Sponsors
    Research reported in this publication was funded by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST). MZ thanks the grant GINOP-2.3.4-15-2016-00004.
    Publisher
    Elsevier BV
    Journal
    Proceedings of the Combustion Institute
    DOI
    10.1016/j.proci.2020.06.259
    Additional Links
    https://linkinghub.elsevier.com/retrieve/pii/S1540748920303515
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.proci.2020.06.259
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

    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.