Berlin 2005 – scientific programme

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CPP: Chemische Physik und Polymerphysik

CPP 28: Nano structures

CPP 28.2: Talk

Tuesday, March 8, 2005, 15:30–15:45, TU C243

Fluid adsorption on nanostructured substrates — •Holger Bohlen and Martin Schoen — Stranski-Laboratorium für Physikalische und Theoretische Chemie, Technische Universität Berlin, D-10623 Berlin, Germany

We investigate the effect of substrate curvature and fluid-substrate potential energy on the phase behavior of an adjacent fluid by means of grand canonical ensemble Monte Carlo (GCEMC) simulations of a Lennard-Jones fluid. Substrates are infinitely long in the y-direction and consist of a periodic sequence of grooves of various depths. The shape of the grooves is controlled by a parameter η such that their degree of convexity increases with 1 < η < ∞. The fluid-substrate potential consists of two contributions, that is a homogenous background potential corresponding to a semi-infinite solid and a potential corresponding to a finite piece of solid with nonplanar surfaces. We discuss results for the filling behavior of grooves on nanorough substrate surfaces and the conditions under which condensation in such pores occurs.