Berlin 2001 – wissenschaftliches Programm
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CPP: Chemische Physik und Polymerphysik
CPP 12: Crystallization in Polymers
CPP 12.1: Vortrag
Donnerstag, 5. April 2001, 15:45–16:05, 111
Polymer Crystallization Examined with a Coarse-Grained Model — •Hendrik Meyer1,2 and Florian Müller-Plathe2 — 1Laboratoire Européen Associé – Institut Charles Sadron; 6, rue Boussingault; 67083 Strasbourg (France) — 2Max-Planck-Institut für Polymerforschung, 55021 Mainz
The formation of chain-folded structures from the supercooled polymer melt is observed in molecular dynamics simulations resembling the lamellae of polymer crystals. Crystallization and subsequent melting temperatures are related linearly to the inverse lamellar thickness. Analysis of the single chain conformations in the crystal shows that most chains reenter the same lamella by tight backfolds. Simulations are performed with a mesoscopic bead-spring model including a specific angle bending potential. They demonstrate that chain stiffness alone, without an attractive inter-particle potential, is a sufficient driving force for the formation of chain-folded lamellae.
[1] H. Meyer and F. Müller-Plathe, preprint cond-mat/0012264.