Startseite The Self-Assembly of an Amphiphilic Block Copolymer: A Dissipative Particle Dynamics Study
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The Self-Assembly of an Amphiphilic Block Copolymer: A Dissipative Particle Dynamics Study

  • S. G. Schulz , U. Frieske , H. Kuhn , G. Schmid , F. Müller , C. Mund und J. Venzmer
Veröffentlicht/Copyright: 8. Mai 2013
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Abstract

The self-assembly of a poly(ethylene oxide)-block-poly(propylene oxide)-block-poly(ethylene oxide) blockcopolymer (EO13PO30EO13) in the presence of water was investigated. The phases have been studied with the mesoscopic simulation technique Dissipative Particle Dynamics (DPD). The micellar, hexagonal, lamellar, bicontinuous and inverse micellar phase have been identified with this method and showed remarkable agreement with the experimental phase behavior. This work showed that the Dissipative Particle Dynamics simulations are also suitable for complicated polymer systems such as the EO13PO30EO13 triblock copolymer.

Kurzfassung

Die Selbstanordnung eines Poly(Ethylenoxid)-block-Poly(Propylenoxid)-block-Poly(Ethylenoxid) Copolymers (EO13PO30EO13) in Anwesenheit von Wasser wurde untersucht. Die Phasen sind mit der Dissipative Partikel Dynamik (DPD), einer mesoskopischen Simulationstechnik, untersucht worden. Die mizellare, hexagonale, lamellare, bikontinuierliche und inversmizellare Phase konnten mit dieser Methode identifiziert werden und zeigten bemerkenswerte Übereinstimmung mit dem experimentellen Phasenverhalten. Diese Arbeit zeigte, dass die Dissipative Partikel Dynamik Simulationen auch auf schwierige Polymer Systeme wie das Triblockcopolymer EO13PO30EO13 anwendbar sind.


5Dr. Sarah G. Schulz, CAM-D Technologies Gerlingstr. 65 D-45139 Essen Germany Tel.: ++49-(0)2 01–36 57–4 01 Fax.: ++49-(0)2 01–36 57–4 03 E-mail:

Sarah G. Schulz (1978) studied chemistry at the Gerhard-Mercator-University-Duisburg and the McMaster University (Hamilton, ON, Canada) and obtained her Diploma in 2002. She received her Ph.D. in 2005 at the University Duisburg-Essen (Campus Essen). Since 2002 she is working for a company dealing with contract research in the field of molecular modeling. Her main research interests are molecular modeling computer simulations of the self-assembly of molecules in solution and at interfaces.

Ulf Frieske (1973) studied chemistry and received his Diploma Degree in 2003 in Physical Chemistry at the University of Essen (Germany), where he is presently a Ph.D. student. His main research interests are the development and evaluation of computer models for simulation of colloids and mesoscopic phases in fluids.

Hubert Kuhn (1961) obtained his degree from the University of Münster (1992) in Theoretical Organic Chemistry. After working a period at the chamber of commerce in Wuppertal (Germany) in the scope of environmental chemistry he changed to the University of Essen. In 1995 he established a Molecular Modeling group at the University of Essen. His research topics are focused on the application of computer simulation in Colloid Chemistry. His main scientific interest is the molecular dynamics computer simulation of complex molecular systems in aqueous solution and interface properties of surfactant films. In 2002 Dr Kuhn established a company dealing with contract research in the field of molecular modeling.

Günter Schmid (1937) studied chemistry at the University of Munich. He received his Diploma in 1962 and his Doctor's Degree in Inorganic Chemistry in 1965, both at the University of Munich. In 1966 he moved to the University of Marburg, Germany, and finished his Habilitation in 1969. 1971 he got a professorship at the University of Marburg and then he moved to the University of Essen, Germany, where he became the director of the Institute for Inorganic Chemistry (1977). His main research interests include the synthesis and investigation of large transition metal clusters and colloids, the generation of three-, two- and one-dimensional arrangements of quantum dots, the heterogeneous catalysis, and nanotechnology.

Felix Müller (1964) obtained a Ph.D. in Organic Chemistry from the University of Münster in 1992. After working as a management consultant he joined Th. Goldschmidt AG, Essen, in 1993. There he started in the applied research department of the surfactants business unit and currently is technical director of the HOME CARE business unit of Th. Goldschmidt AG. His scientific interest is in novel surfactant and emulsion systems, silicone surfactants and organic performance additives for home care applications.

Christian Mund (1969) studied chemistry and received his Doctor's Degree at the University of Essen. In 2002 he joined the Research Department of the Business Unit Oligomers & Silicones of Degussa AG. His activities are focused on the investigation of the physico-chemical processes responsible for the performance of specialty additives.

Joachim Venzmer (1960) studied chemistry at the Johannes Gutenberg-University in Mainz. After receiving his PhD in 1991, he joined Central Research of Th. Goldschmidt AG in Essen, which became a part of Degussa AG newly formed in 2001. His main interest is in controlling processes at interfaces by applying interfacially active additives. At the present, he is responsible for the Applied Research group within the Research Department of the Business Unit Oligomers & Silicones.


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Received: 2005-1-25
Published Online: 2013-05-08
Published in Print: 2005-06-01

© 2005, Carl Hanser Publisher, Munich

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