Regensburg 2010 – scientific programme

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DY: Fachverband Dynamik und Statistische Physik

DY 6: Poster Session I

DY 6.13: Poster

Monday, March 22, 2010, 16:00–18:00, Poster B2

Morphometric Relationship for Thermodynamic Properties of Confined Hard Sphere Fluids — Stefan Kuczera, •Klaus Mecke, and Gerd Schröder-Turk — Institut für Theoretische Physik 1, Universität Erlangen-Nürnberg, Staudtstr. 7, 91058 Erlangen, Germany

Thermodynamical properties of confined fluids depend on the shape of the confining cavity. König et al. have shown by density functional theory that for hard-sphere fluid and for simple pore shapes this dependence is expressed as a simple linear combination of four terms, namely the volume of the cavity, its interfacial area and integrated mean curvature and its Euler characteristic [1]. We extend this work by studying the equilibrium fluid density in cavities of complex shape by grand-canonical Monte Carlo simulation. The confining cavities are given by the periodic labyrinthine domains bounded by so-called triply-periodic minimal or constant mean curvature surfaces. The complexity of these cavity shapes is (a) the negative Gaussian curvature of the pore-solid interface and (b) their labyrinthine character with finite domain thicknesses. We numerically determine the boundary terms of thermodynamic quantities and compare them with analytic results.

[1] P.-M. König, R. Roth, and K. Mecke, Morphological thermodynamics of fluids: shape dependence of free energies, Phys. Rev. Lett. 93, 160601 (2004)