NDLI: Emergence of surfactant-free micelles from ternary solutions

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Chemical Science Vol - 5 Issue - 7

Chemical Science Vol - 5 Issue - 6

Chemical Science Vol - 5 Issue - 5

Chemical Science Vol - 5 Issue - 4

Chemical Science Vol - 5 Issue - 3

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Chemical Science Vol -1

Emergence of surfactant-free micelles from ternary solutions

Content Provider	Royal Society of Chemistry (RSC)
Author	Diat, O. Kunz, W. Zemb, T. Horinek, D. Schöttl, S. Touraud, D. Marcus, J.
Copyright Year	2014
Abstract	Curious effects ranging from enzyme activity to anomalies in evaporation rates that have been known for over fifty years suggest the existence and thermodynamic stability of surfactant-free micelles. Only recently, joint X-ray, light and neutron scattering experiments have demonstrated that aggregates and bulk pseudo-phases coexist in presumably normal solutions, in which a water insoluble component is solubilized in a certain domain of concentration of a hydrotrope component like ethanol. Nevertheless, nothing is known about the molecular-level shape and structure of such aggregates. In this work we characterize mixtures of octanol, ethanol, and water by molecular dynamics simulations. For compositions in the “pre-ouzo” region (close to the single phase stability limit) we observe micelle-like aggregates that are clearly distinct from simple critical density fluctuations. We define an ethanol partition in the pseudo-phase from an integral of the van der Waals dispersion energy term. From this partition, octanol-rich aggregates swollen with ethanol appear with an emerging interface. Ethanol is present in the water pseudo-phase with an exponential decay similar to the one predicted by Marcelja and Radic forty years ago.
Starting Page	2949
Ending Page	2954
Page Count	6
File Format	HTM / HTML PDF
ISSN	20416520
Volume Number	5
Issue Number	8
Journal	Chemical Science
DOI	10.1039/c4sc00153b
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Subscribed
Subject Keyword	Marcelja Ethanol Enzyme Neutron diffraction Octanol Dispersion relation Hydrotrope Molecular dynamics Van der Waals force Exponential decay X-ray crystallography Friedmann equations Integral Radic
Content Type	Text
Resource Type	Article
Subject	Chemistry

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van der Waals dispersion interactions in molecular materials: beyond pairwise additivity

Density-functional account of van der waals forces between parallel surfaces.

Dispersion forces acting between silica particles across water: influence of nanoscale roughness

Van der waals interactions in density functional theory.

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