Regensburg 2002 – wissenschaftliches Programm

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SYPF: Struktur und Dynamik in dünnen Polymerfilmen

SYPF 2: Poster Session

SYPF 2.16: Poster

Donnerstag, 14. März 2002, 09:00–18:00, Poster B

Modeling phase behavior in thin films of cylinder forming blockcopolymers — •A. Horvat¹, A. Knoll¹, G. Krausch¹, R. Magerle¹, K.S. Lyakhova², G.J.A. Sevink², and A.V. Zvelindovsky² — ¹Physikalische Chemie II, Universität Bayreuth, 95440 Bayreuth, Germany — ²Soft Condensed Matter Group, Leiden University, 2300 RA Leiden, The Netherlands

Dynamic density functional theory was applied to model the phase behavior in thin films of cylinder forming diblock and triblock copolymers. We have performed numerical calculations with the MesoDyn code to simulate different systems. The influences of polymer structure, interaction parameters, and the film thickness were studied systematically. The deviation of structures in thin films from bulk structure can be understood in terms of surface reconstructions that are modulated by confinement effects. Our results show that the chosen theoretical model reproduces all essential features of experiments reported by Knoll et. al. on this conference. Two different ways of film equilibration have been investigated: thermal annealing and vapor treatment. Here we found particularly interesting the influence of the amount and nature of the solvent on the thin film morphology and the distribution of the solvent among the different microdomains.