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Schoettl, Sebastian ; Marcus, Julien ; Diat, Oliver ; Touraud, Didier ; Kunz, Werner ; Zemb, Thomas ; Horinek, Dominik

Emergence of surfactant-​free micelles from ternary solutions

Artikel

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.

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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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftChemical Science
VerlagROYAL SOC CHEMISTRY
Ort der VeröffentlichungCAMBRIDGE
Band5
Nummer des Zeitschriftenheftes oder des Kapitels8
SeitenbereichS. 2949-2954
Datum2014
Veröffentlichungsdatum17 Mrz 2015 09:34
Zusätzliche Informationen (Öffentlich)Open-Access-Komponente aus der Allinanzlizenz
InstitutionenChemie 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
WertTyp
10.1039/c4sc00153bDOI
Stichwörter / KeywordsSODIUM OCTANOATE MICELLES; NEUTRON-SCATTERING; FORCE-FIELD; WATER; MICROEMULSIONS; SYSTEMS; MODEL;
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 540 Chemie
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-314678
Dokumenten-ID31467

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