Dresden 2003 – wissenschaftliches Programm

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CPP: Chemische Physik und Polymerphysik

CPP 22: POSTER C

CPP 22.33: Poster

Donnerstag, 27. März 2003, 12:00–14:00, ZEU/250

Modelling phase behavior in thin films of cylinder forming block copolymers — •A. Horvat¹, K. S. Lyakhova², G. J. A. Sevink², A. V. Zvelindovsky², and R. Magerle¹ — ¹Physikalische Chemie II, Universität Bayreuth, 95440 Bayreuth, Germany — ²Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands

With dynamic density functional theory we model the phase behavior in thin films of cylinder forming AB diblock and ABA triblock copolymers. Our numerical calculations with the MesoDyn code capture all essential features of experiments [A. Knoll et al., Phys. Rev. Lett. 89, 035501 (2002)]. In this contribution we study the influence of the molecular architecture (AB, ABA) and solvent content on the phase behavior in thin films. Furthermore, we are now able to model films with a free surface that can change its shape during a simulation run. Starting from flat films, the minimization process of the free energy in the system leads to spontanous formation of terraces with energetically favored film thickness. We examine the dynamics of structure development that is accompanied with the changing film thickness and compare the structure of steps between terraces with experimental results.