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    Molecular arrangement between electrolyte and alcohol at the air/water interface

    Access Status
    Fulltext not available
    Authors
    Gao, G.
    Nguyen, C.
    Phan, Chi
    Date
    2017
    Type
    Journal Article
    
    Metadata
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    Citation
    Gao, G. and Nguyen, C. and Phan, C. 2017. Molecular arrangement between electrolyte and alcohol at the air/water interface. Journal of Molecular Liquids. 242: pp. 859-867.
    Source Title
    Journal of Molecular Liquids
    DOI
    10.1016/j.molliq.2017.07.083
    ISSN
    0167-7322
    School
    Department of Chemical Engineering
    URI
    http://hdl.handle.net/20.500.11937/58499
    Collection
    • Curtin Research Publications
    Abstract

    © 2017 Elsevier B.V. While it is conventionally believed that interaction between electrolytes and surfactants at the air/water interface can have profound impact on surface tension, a quantitative description remains elusive. In this study, the surface arrangement of MIBC at 1 M and 2 M NaCl solution was investigated by molecular dynamics. The main aim of simulation was to explore the molecular arrangement and explain the synergistic effect, which was evidenced by existing experimental data. The simulation was able to confirm experimental results as well as the underlying molecular arrangement. Specifically, it was found that Na + and Cl - has an opposite effects on surface tension. The net effect of Na + /Cl - on surface tension is determined by the relative ratio between the two ions near the interface. This relative ratio, in turn, depends on MIBC concentration. As a result, NaCl decrease tension at low MIBC and increase tension at high MIBC. The mechanism should be the same governing principle for other surfactant/electrolyte mixture. The findings lay an important foundation for mixed surfactant/electrolyte systems.

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