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Emergence of surfactant-free micelles from ternary solutions
Schoettl, Sebastian, Marcus, Julien, Diat, Oliver, Touraud, Didier, Kunz, Werner
, Zemb, Thomas und Horinek, Dominik
(2014)
Emergence of surfactant-free micelles from ternary solutions.
Chemical Science 5 (8), S. 2949-2954.
Veröffentlichungsdatum dieses Volltextes: 17 Mrz 2015 09:34
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.31467
Zusammenfassung
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 ...
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.
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| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Chemical Science | ||||
| Verlag: | ROYAL SOC CHEMISTRY | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | CAMBRIDGE | ||||
| Band: | 5 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 8 | ||||
| Seitenbereich: | S. 2949-2954 | ||||
| Datum | 2014 | ||||
| Zusätzliche Informationen (Öffentlich) | Open-Access-Komponente aus der Allinanzlizenz | ||||
| Institutionen | Chemie und Pharmazie > Institut für Physikalische und Theoretische Chemie > Lehrstuhl für Chemie IV - Physikalische Chemie (Solution Chemistry) > Prof. Dr. Werner Kunz Chemie und Pharmazie > Institut für Physikalische und Theoretische Chemie > Lehrstuhl für Chemie IV - Physikalische Chemie (Solution Chemistry) > Prof. Dr. Dominik Horinek | ||||
| Identifikationsnummer |
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| Stichwörter / Keywords | SODIUM OCTANOATE MICELLES; NEUTRON-SCATTERING; FORCE-FIELD; WATER; MICROEMULSIONS; SYSTEMS; MODEL; | ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Ja | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-314678 | ||||
| Dokumenten-ID | 31467 |
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