Properties of Dialkylcarbonate + 1-Alkanol Mixtures at the Vacuum Interface
Author | Atilhan, Mert |
Author | Aparicio, Santiago |
Available date | 2021-03-25T11:33:35Z |
Publication Date | 2016 |
Publication Name | Journal of Physical Chemistry C |
Resource | Scopus |
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. |
Language | en |
Publisher | American Chemical Society |
Subject | Chemical bonds Molecular dynamics Molecular orientation Bulk liquid Evaporation rate Inter-molecular forces Interfacial property Molecular dynamics simulations Properties of solutions Solution composition Vacuum interfaces Viscosity measurement |
Type | Article |
Pagination | 29126-29134 |
Issue Number | 51 |
Volume Number | 120 |
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Chemical Engineering [1155 items ]