Dresden 2014 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 3: Ionic Liquids

CPP 3.5: Hauptvortrag

Montag, 31. März 2014, 10:30–11:00, ZEU 260

Role of heterogeneous structures and dynamics for transport properties of complex fluids: Insights from molecular dynamics simulations — •Michael Vogel — Institut für Festkörperphysik, Technische Universität Darmstadt, Hochschulstr. 6, 64289 Darmstadt, Germany

A large variety of complex fluids show heterogeneous structures and dynamics, e.g., ionic liquids can exhibit concentration fluctuations, which manifest themselves in mobility variations. In the vicinity of solid interfaces, inhomogeneities of structures and dynamics are often particularly pronounced. Any heterogeneities on nanoscopic scales can have severe consequences for material behaviors and functions on macroscopic scales. Molecular dynamics simulations are a powerful tool to determine molecular structure and dynamics on different scales. We exploit this capability to develop a fundamental understanding of macroscopic mass transport based on space-time characteristics of nanoscopic structural and dynamical heterogeneities. The studied examples include supercooled liquids, ionic liquids, and polymer melts. Moreover, we compare the liquid behavior in the bulk and at various interfaces, including biological surfaces.