Dresden 2011 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 44: Micro- and Nanofluidics I

CPP 44.7: Talk

Thursday, March 17, 2011, 15:30–15:45, ZEU 160

MD simulation of polymer droplets on super-hydrophobic substrates — •Nikita Tretyakov and Marcus Müller — Georg-August Universität, Göttingen

We study coarse-grained polymer liquids on super-hydrophobic substrates by Molecular Dynamics simulation. The systems under investigation consist of a polymer droplet on a spatially structured corrugated substrate. The temperature is controlled by DPD thermostat which locally conserves the momentum. The values of the contact angle are dictated by the substrate-liquid interaction and the geometry of the substrate corrugation. Cassie and Wenzel states are observed by changing the amplitude of Lennard-Jones interaction between polymer chains and substrate's atoms.

Applying the body force onto droplet's molecules we study dynamical properties of the system. Spatial corrugation of the substrate initiate the pinning of the droplet's contact line. The energy barriers needed to be overcome for depinning are estimated. The fluctuations of the contact line providing information on capillary waves on the droplet's surface are explored. The energy dissipations due to the presence of the substrate are calculated. Directed motion caused by asymmetry of the substrate corrugation is studied.