Modeling multilayer adsorption of interacting polyatomic species on heterogeneous surfaces

F.O. Sánchez-Varretti, G.D. García and A.J. Ramirez-Pastor

Physica A: Statistical Mechanics and its Applications, 2012, vol. 391, issue 4, 1158-1171

Abstract: In the present work, a generalized lattice-gas model to study multilayer adsorption of interacting polyatomic species on heterogeneous surfaces is introduced. Using an approximation in the spirit of the well-known Brunauer–Emmet–Teller (BET) model, a new theoretical isotherm is obtained in one- and two-dimensional lattices and compared with Monte Carlo simulation. In addition, the BET approach is used to analyze these isotherms and to estimate the monolayer volume. In all cases, the application of the BET equation leads to an underestimate of the true monolayer capacity. However, significant compensation effects were observed for heterogeneous surfaces and attractive lateral interactions.

Keywords: Equilibrium thermodynamics and statistical mechanics; Surface thermodynamics; Adsorption isotherms; Multilayer adsorption; Monte Carlo simulations (search for similar items in EconPapers)
Date: 2012
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:391:y:2012:i:4:p:1158-1171

DOI: 10.1016/j.physa.2011.11.019

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