Title: Adsorption of chain molecules in pores with crystalline walls: a density functional approach
Author(s):

	K. Bucior (Department for the Modelling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20-031 Lublin, Poland ) ,
	A. Patrykiejew (Department for the Modelling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20-031 Lublin, Poland ) ,
	S. Sokołowski (Department for the Modelling of Physico-Chemical Processes, Maria Curie-Skłodowska University, 20-031 Lublin, Poland ) ,
	O. Pizio (Universidad Autonoma Metropolitana, Iztapalapa, México D.F., México )

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.

Key words: density functional, adsorption, chains, crystals
PACS: 68.08.-p, 68.43.Fg, 82.35.Gh, 68.43.-h
Comments: Figs. 7, Refs. 40, Tabs. 0

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