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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 9: POSTERS Single Molecules, Biopolymers, Membranes

CPP 9.23: Poster

Monday, February 25, 2008, 16:45–19:00, Poster A

Microscopic theory of liquid-vapour interface of simple fluids — •Vitalie Botan and Martin Oettel — Institut für Physik, WA 331, Johannes-Gutenberg-Universität Mainz, Mainz, Germany

The liquid-vapor interface of Lennard-Jones fluids is examined by combining integral equation and density functional theory. In this approach a closure of reference hypernetted chain type to the inhomogeneous Ornstein-Zernike equation for the correlations functions is developed employing a bridge functional (instead of a bridge function) of a suitably chosen hard-sphere reference system. Using Tarazona's free energy functional for the reference system, the obtained self-consistent solutions for the density profiles and inhomogeneous two-body correlation functions are analyzed with respect to the mesoscopic capillary wave picture.