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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 9: Poster: Interfaces and Thin Films (joint session with DECHEMA and VDI)
CPP 9.3: Poster
Montag, 11. März 2013, 17:30–19:30, Poster C
Order and phase behavior of thin film of diblock copolymer-selective nanoparticle mixtures : A molecular dynamics simulation study — •Lenin S. Shagolsem1,2 and Jens-Uwe Sommer1,2 — 1Leibniz-Institut für Polymerforschung Dresden — 2Technische Universität Dresden
We study a coarse grained model of AB diblock-copolymer and nanoparticle mixtures confined between two identical walls in slit geometry. The nanoparticles are selective with respect to the A-block of the copolymer, while the walls are repulsive and non-selective with respect to both the copolymers and nanoparticles. We systematically explore the various equilibrium morphologies formed by the copolymer nanocomposites in this confined geometry, and construct the corresponding phase diagram in diblock composition and nanoparticle concentration space. We observe both vertically and horizontally oriented lamellar structures. The vertically oriented lamellae is formed by symmetric and slightly asymmetric diblock-copolymers at low nanoparticle concentrations and it has a very limited region of stability in the phase space, whereas the horizontal lamellae can be realized up to highly asymmetric diblock-copolymers and at high nanoparticle concentrations. The formation of horizontally oriented lamellae is driven by the chains (mainly nanoparticle repulsive B-blocks) to relax stretching near the confining surfaces. By considering the horizontal lamellae, we also investigate the effect of nanoparticle concentration on the lamellar layer thickness.