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    Properties of Dialkylcarbonate + 1-Alkanol Mixtures at the Vacuum Interface

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    Date
    2016
    Author
    Atilhan, Mert
    Aparicio, Santiago
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    Abstract
    The properties of solutions formed by dialkylcarbonate + 1-alkanol solutions are studied using classic molecular dynamics simulations. The effects of solution composition, temperature, and dialkylcarbonate type have been analyzed. The structure at the interface was analyzed and compared with the bulk liquid phases, with special attention to surface composition, molecular orientation, and intermolecular forces. Evaporation rates were also calculated as a function of temperature. Reported results provide a detailed characterization of interfacial properties of the presented complex systems at the nanoscopic level for the first time.
    DOI/handle
    http://dx.doi.org/10.1021/acs.jpcc.6b08952
    http://hdl.handle.net/10576/17996
    Collections
    • Chemical Engineering [‎1231‎ items ]

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