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8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

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Thu 811:<strong>10</strong>-14:00P7.23Computational approaches to compute interfacetensions γ lw and γ cw for colloidal systemsDebabrata Deb, 1 Alexander Winkler, 1 Peter Virnau, 1 and Kurt Binder 11 Johannes Gutenberg University Mainz, Staudenger Weg 7, 55099, Mainz, GermanyOn this talk we present recent efforts to calculate interface tensions γ lw between liquid and walland γ cw between crystal and wall for hard spheres and the effective Asakura-Oosawa model.Wall interactions are modelled with the purely repulsive Weeks-Chandler-Andersen potential.Several approaches are tested: A method based on the anisotropy of the pressure tensor for γ lw , arecent approach to compute absolute free energies proposed by Schilling and Schmid [1], and athermodynamic integration based on slowly moving the system away from the bulk towards theconfined state [2].[1] T. Schilling and F. Schmid, J. Chem. Phys 131, 231<strong>10</strong>2 (2009)[2] D. Deb, A. Winkler, M. H. Yamani, M. Oettel, P. Virnau and K. Binder, arXiv:1<strong>10</strong>3. 406923

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