INFAP 20938
INSTITUTO DE FISICA APLICADA "DR. JORGE ANDRES ZGRABLICH"
Unidad Ejecutora - UE
artículos
Título:
Fractional statistical theory and use of quasi-chemical approximation for adsorption of interacting k-mers.-
Autor/es:
M. DÁVILA; J. L. RICCARDO; A.J. RAMIREZ PASTOR
Revista:
SURFACE SCIENCE
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2009 vol. 603 p. 683 - 689
ISSN:
0039-6028
Resumen:
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In a recent paper [J. L. Riccardo, A. J. Ramirez-
Pastor, F. Romá, Phys. Rev. Lett. 94 (2004) 186101], a new fractional statistical
theory of adsorption (FSTA) based on Haldanes statistics was presented. Later [M.
Dávila, F. Romá, J. L. Riccardo, A. J. Ramirez- Pastor, Surf. Sci. 600 (2006)
2011], a generalization of the classical quasi- chemical approximation (QCA) was
developed in which the adsorbate can occupy more than one adsorption site. In this
paper, we describe the statistical thermodynamics of interacting polyatomic adsorbates
(k- mers) on homogeneous surfaces, by combining FSTA and QCA. The main thermodynamic
functions are obtained in terms of two parameters, g and a, which are related directly
to the spatial configuration
of a polyatomic molecule in the adsorbed state. Analysis of simulated and experimental
results have been carried out in order to (i) explore the reach and limitations
of the theoretical model and (ii) evince the physical significance of g and a.
