Regensburg 2007 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 25: Micro and Nano Fluidics III: Lab-on-Chip Geometries

CPP 25.6: Talk

Thursday, March 29, 2007, 18:45–19:00, H37

Atomistic simulation of nanoscale wicking — •Björn Henrich¹, Mark Santer^1,2, and Michael Moseler^1,3 — ¹Fraunhofer Institut für Werkstoffmechanik IWM, Wöhlerstraße 11, D-79108 Freiburg — ²IMTEK-Institut für Mikrosystemtechnik, Lehrstuhl für Anwendungsentwicklung, Georges-Köhler-Allee 106, D-79110 Freiburg — ³Freiburger Materialforschungszentrum (FMF), Stefan-Meier-Straße 21, D-79104 Freiburg

We present extensive molecular dynamics simulations of fluid propane in gold nanopores. In particular, the impregnation dynamics into a slit is investigated and compared to a continuum model, namely an extended Washburn equation which takes into account inertia, slip induced by an atomistic precursor film and the evolution of the dynamic contact angle. The latter is also extracted from stationary plug flow simulations and is found to agree with those found in the wicking simulation after a short period dominated by inertial effects.