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Updated: May 31, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Random sequential adsorption of polyatomic species on fractal substrates
V Cornette1, A J Ramirez-Pastor, F Nieto
1Departamento de Física, Instituto de Física Aplicada (INFAP), Universidad Nacional de San Luis, CONICET, San Luis, Argentina. cornette@unsl.edu.ar
Abstract:
Random sequential adsorption of k-mers of different sizes and shapes deposited on two types of fractal surfaces (deterministic and statistical) is studied. These kinds of substrates present intrinsic heterogeneities. As a consequence, the average coordination number depends on the topology that characterizes the adsorbent. For discrete models, at the late stage the surface coverage evolves according to θ(t)=θ(j)-Aexp[-t/σ], where θ(j) is the jamming coverage while A and σ are fitting parameters. A detailed analysis of how these main quantities [θ(j), σ] depend on the relationship between the geometry of the adsorbate and the adsorbent is presented. The results obtained suggest that the symmetry of the substrate may exert a decisive influence on the adsorption kinetics of polyatomic species.
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