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Adsorption of chain molecules in pores with crystalline walls: a density functional approach

Author(s): K. Bucior | A. Patrykiejew | S. Sokołowski | O. Pizio

Journal: Condensed Matter Physics
ISSN 1607-324X

Volume: 12;
Issue: 1;
Start page: 51;
Date: 2009;
Original page

Keywords: density functional | adsorption | chains | crystals

A microscopic density functional theory of adsorption of chain molecules on the attractive solid surfaces of crystalline symmetry is developed. The proposed approach is based on the expansions of one-particle functions into two-dimensional Fourier series. Illustrative calculations for dimers, 8- and 16-mers adsorbed on a (100) fcc crystal surface indicate the effect of the periodicity of the adsorbing potential on the structure of the adsorbed layer and thermodynamics of adsorption.
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