Solutes at the liquid:liquid phase boundary--Solubility and solvent conformational response alter interfacial microsolvation

The Journal of Chemical Physics
Yasaman GhadarAurora E Clark

Abstract

A detailed understanding of solvent structure and dynamics at liquid:liquid interfaces is a necessary precursor for control and manipulation of these phase boundaries. Experimentally, amphiphilic solutes are often used to alter transport properties across water:organic interfaces; however, a fundamental model for the mechanism of this action has not been determined. This work compares the solvation profiles of ampiphilic solutes that traverse the phase boundary in binary water:n-hexane, and the individual microsolvation processes for interfacial water and hexane molecules therein. Microsolvation is defined as the rare event where one solvent molecule temporarily penetrates the co-solvent phases and is fully solvated therein. The solutes tri-butyl phosphate (TBP), hydrogen di-butyl phosphate, and di-hydrogen mono-butyl phosphate have been examined as they exhibit a systematic increase in aqueous solubility and selectively partition to the interfacial region at the infinite dilution limit. The relationship between adopted configurations of the solute, orientation of the solvent, and the ability of the solute to enhance microsolvation, specifically the ability of n-hexane to penetrate the aqueous phase, is demonstrated within a 20...Continue Reading

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Citations

May 31, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Baofu QiaoRoss J Ellis
Nov 30, 2018·Physical Chemistry Chemical Physics : PCCP·Michael J Servis, Aurora E Clark
Sep 6, 2017·The Journal of Physical Chemistry. B·Tiecheng ZhouAurora E Clark
Jun 20, 2020·ACS Applied Materials & Interfaces·Azhad U ChowdhuryBenjamin Doughty

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