Regensburg 2016 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 26: Poster: Charged Soft Matter, Polyelectrolytes, Ionic Liquids
CPP 26.6: Poster
Dienstag, 8. März 2016, 18:15–21:00, Poster B2
A coarse-grained model for polyionic liquids — •Alexander Weyman1, Jens Smiatek1, Markus Bier2, and Christian Holm1 — 1Institut für Computerphysik, Universität Stuttgart, Germany — 2Max-Planck-Institut für Intelligente Systeme, Stuttgart, Germany
Polyionic liquids or polymerized ionic liquids (PILs) are a relatively new class of polyelectrolytes that combine both the advantages of polymeric materials and the unique properties of ionic liquids and therefore have become the focus of scientific interest in recent years. [1]
We show first results from molecular dynamics simulation using a coarse-grained model for polyionic liquids in order to analyze structural features and transport properties. The polymer chains are described by a bead-spring model where the single PIL monomers are represented by single beads that are interconnected via bond potentials.
We intend to calculate the dynamic and static structure factor for single chains and for dense polymer solution to gain insights into structural properties. This will allow us to compare our results to experimental data.
[1] Yuan et al., Poly(ionic liquid)s: An update, Progr. Polym. Sci. 38 (2013) 1009-1036