Schoettl, S. and Marcus, J. and Diat, O. and Touraud, D. and Kunz, W. and Zemb, T. and Horinek, D. (2014) Emergence of surfactant-free micelles from ternary solutions. CHEMICAL SCIENCE, 5 (8). pp. 2949-2954. ISSN 2041-6520, 2041-6539
Full text not available from this repository. (Request a copy)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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | SODIUM OCTANOATE MICELLES; NEUTRON-SCATTERING; FORCE-FIELD; WATER; MICROEMULSIONS; SYSTEMS; MODEL; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Dominik Horinek |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 29 Nov 2019 08:50 |
| Last Modified: | 29 Nov 2019 08:50 |
| URI: | https://pred.uni-regensburg.de/id/eprint/10969 |
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