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    Surface properties of the ethanol/water mixture: Thickness and composition

    Access Status
    Fulltext not available
    Embargo Lift Date
    2021-06-12
    Authors
    Hyde, Anita
    Ohshio, M.
    Nguyen, C.V.
    Yusa, S.I.
    Yamada, N.L.
    Phan, Chi
    Date
    2019
    Type
    Journal Article
    
    Metadata
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    Citation
    Hyde, A.E. and Ohshio, M. and Nguyen, C.V. and Yusa, S.I. and Yamada, N.L. and Phan, C.M. 2019. Surface properties of the ethanol/water mixture: Thickness and composition. Journal of Molecular Liquids. 290: Article No. 111005.
    Source Title
    Journal of Molecular Liquids
    DOI
    10.1016/j.molliq.2019.111005
    ISSN
    0167-7322
    Faculty
    Faculty of Science and Engineering
    School
    WASM: Minerals, Energy and Chemical Engineering
    URI
    http://hdl.handle.net/20.500.11937/79506
    Collection
    • Curtin Research Publications
    Abstract

    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 unclear. Recent thermodynamic analyses, Bagheri and co-authors (2016) and Santos and Reis (2018), indicated that the interfacial thickness is not constant. However, the interfacial thickness from these two analyses follows opposite trends. This study aims to provide a detailed description of the thickness and composition of the interfacial layer by combining neutron reflectivity (NR) experiments with rigorous molecular simulation. The interfacial composition was determined from molecular simulations and, in conjunction with the Gibbs excess concentration, used to calculate the interfacial thickness. It was found that the thickness decreased exponentially and reached a plateau of ~ 8.2 Å. The results confirm the trends obtained thermodynamically from surface tension. The study also provides a new theoretical framework to describe the interfacial layer of water/alcohol mixtures.

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