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Monte Carlo simulations of confined hard sphere fluids

Schröder-Turk, G.E., Kuczera, S., Hörndlein, D., Krach, F., Hiester, T. and Mecke, K. (2010) Monte Carlo simulations of confined hard sphere fluids. Physics Procedia, 3 (3). pp. 1493-1497.

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We describe a grand-canonical Monte Carlo simulation of a hard sphere fluid confined to porous media with arbitrary pore shape. The pore geometry is given by a triangulated surface representation of the solid-void interface. This algorithm is developed to study the dependence of thermodynamic quantities, such as the average density and adsorption, on the shape of the pore. Particular pore shape geometries that are analysed are the labyrinthine domains bounded by so-called triply-periodic minimal surfaces.

Publication Type: Journal Article
Publisher: Elsevier B.V.
Copyright: © 2010 Published by Elsevier B.V.
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