Curtin University Homepage
  • Library
  • Help
    • Admin

    espace - Curtin’s institutional repository

    JavaScript is disabled for your browser. Some features of this site may not work without it.
    View Item 
    • espace Home
    • espace
    • Curtin Research Publications
    • View Item
    • espace Home
    • espace
    • Curtin Research Publications
    • View Item

    Molecular Dynamics Investigation on Adsorption Layer of Alcohols at the Air/Brine Interface

    Access Status
    Fulltext not available
    Authors
    Nguyen, Van Cuong
    Phan, Chi
    Ang, Ming
    Nakahara, H.
    Shibata, O.
    Moroi, Y.
    Date
    2015
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Nguyen, V.C. and Phan, C. and Ang, M. and Nakahara, H. and Shibata, O. and Moroi, Y. 2015. Molecular Dynamics Investigation on Adsorption Layer of Alcohols at the Air/Brine Interface. Langmuir. 31: pp. 50-56.
    Source Title
    Langmuir
    DOI
    10.1021/la504471q
    ISSN
    0743-7463
    School
    Department of Chemical Engineering
    URI
    http://hdl.handle.net/20.500.11937/10294
    Collection
    • Curtin Research Publications
    Abstract

    Alcohols are a significant group of surfactants which have been employed extensively in industry to improve the interfacial effects. Recently, the change in surface potential (ΔV)of two isomeric hexanols, methyl isobutyl carbinol (MIBC) and 1-hexanol, was investigated by using an ionizing241Am electrode. It clearly showed the opposite effects between MIBC and 1-hexanol in the interfacial zone: one enhanced the presence of cations, whereas the other enhanced the presence of anions. This study employs molecular dynamics simulation to provide new insights into the interactions between alcohol molecules and ions as well as water at the molecular level. The results qualitatively agreed with the experimental data and verified the significance of MIBC branching structure on the molecular arrangement within the interfacial zone. The results also highlighted the role of the second water layer on the interfacial properties.

    Related items

    Showing items related by title, author, creator and subject.

    • Surface properties of the ethanol/water mixture: Thickness and composition
      Hyde, Anita; Ohshio, M.; Nguyen, C.V.; Yusa, S.I.; Yamada, N.L.; Phan, Chi (2019)
      Ethanol is a common amphiphilic solvent often used in conjunction with water. However, despite its widespread use, key questions regarding the thickness and composition of molecules at the ethanol/water/air surface remain ...
    • Surface-bound norbornylogous bridges as molecular rulers for investigating interfacial electrochemistry and as single molecule switches
      Darwish, Nadim; Paddon-Row, M.; Gooding, J. (2014)
      Electron transfer (ET) reactions through molecules attached to surfaces, whether they are through single molecules or ensembles, are the subject of much research in molecular electronics, bioelectronics, and electrochemistry. ...
    • Surface tension, interfacial tension and contact angles of ionic liquids
      Sedev, Rossen (2011)
      Ionic liquids combine the properties of molten salts (they are liquids composed predominantly of ions) and organic liquids (a variety of chemical bonds and interactions are relevant). Their unique properties have attracted ...
    Advanced search

    Browse

    Communities & CollectionsIssue DateAuthorTitleSubjectDocument TypeThis CollectionIssue DateAuthorTitleSubjectDocument Type

    My Account

    Admin

    Statistics

    Most Popular ItemsStatistics by CountryMost Popular Authors

    Follow Curtin

    • 
    • 
    • 
    • 
    • 

    CRICOS Provider Code: 00301JABN: 99 143 842 569TEQSA: PRV12158

    Copyright | Disclaimer | Privacy statement | Accessibility

    Curtin would like to pay respect to the Aboriginal and Torres Strait Islander members of our community by acknowledging the traditional owners of the land on which the Perth campus is located, the Whadjuk people of the Nyungar Nation; and on our Kalgoorlie campus, the Wongutha people of the North-Eastern Goldfields.