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The Vanishing water/oil interface in the presence of antagonistic salt

Glende, Gudrun; de Wijn, Astrid S.; Pousaneh, Faezeh
Peer reviewed, Journal article
Published version
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URI
https://hdl.handle.net/11250/2723581
Date
2020
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  • Institutt for maskinteknikk og produksjon [3186]
  • Publikasjoner fra CRIStin - NTNU [26591]
Original version
10.1063/1.5142811
Abstract
Antagonistic salts are salts that consist of hydrophilic and hydrophobic ions. In a binary mixture of water and an organic solvent, these ions preferentially dissolve into different phases. We investigate the effect of an antagonistic salt, tetraphenylphosphonium chloride PPh+4Cl−, in a mixture of water and 2,6-lutidine by means of Molecular Dynamics (MD) simulations. For increasing concentrations of the salt, the two-phase region is shrunk and the interfacial tension in reduced, in contrast to what happens when a normal salt is added to such a mixture. The MD simulations allow us to investigate in detail the mechanism behind the reduction of the surface tension. We obtain the ion and composition distributions around the interface and determine the hydrogen bonds in the system and conclude that the addition of salt alters the hydrogen bonding.
Publisher
American Institute of Physics
Journal
Journal of Chemical Physics

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