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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 2: Modeling and Simulation of Soft Matter I

CPP 2.4: Vortrag

Montag, 18. März 2024, 10:30–10:45, H 0107

Knots in polymer melts and films — •Maurice Schmitt¹, Sarah Wettermann¹, Hendrik Meyer², and Peter Virnau¹ — ¹Johannes Gutenberg-Universität, Institut für Physik, Mainz, Germany — ²Université de Strasbourg, Institut Charles Sadron, Strasbourg, France

Flory's hypothesis states that chains in polymer melts can be mapped onto corresponding random walks with characteristic Kuhn lengths and monomer numbers. However, when topological properties, namely knotting probabilities and knot spectra, are considered as measures for chain configurations, corresponding random walks only provide a poor description of chains in the melt, particularly for flexible chains. On the other hand, good agreement between chains in a melt and theta-chains, i.e., single chains at the transition point between a self-avoiding and a globular phase, can be observed with respect to topology. Here, we extend our previous analysis and provide a comprehensive comparison between theta-chains and chains in polymer melts as a function of chain stiffness. Furthermore, we investigate knotting in polymer films with varying thickness and compare their topologies with those of confined theta chains. Knotting probabilities of chains in thin films and confined single chains increase near the boundary of the confinement as chains take up flat conformations with overall decreased radii of gyration.

Keywords: Polymer; Knots; Melt; Film; Semiflexibility