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Adsorption of interacting particles on bivariate diffusion-limited aggregates.
Fabricio Orlando Sanchez-Varretti1, Antonio José Ramirez-Pastor2
1Universidad Tecnológica Nacional, Facultad Regional San Rafael, Instituto de Física Aplicada (INFAP), CONICET, Gral. Urquiza 314, 5600, San Rafael, Mendoza, Argentina. fabriciosanchezv@yahoo.com.ar.
The European Physical Journal. E, Soft Matter
|March 27, 2021
Summary
This study simulates particle adsorption on novel fractal surfaces called bivariate diffusion-limited aggregates (BDLA). The simulations reveal diverse adlayer structures influenced by surface topology and particle interactions.
Area of Science:
- Surface science
- Statistical mechanics
- Computational physics
Background:
- Fractal surfaces exhibit complex geometries influencing adsorption phenomena.
- Diffusion-limited aggregation (DLA) models generate fractal structures.
- Understanding particle adsorption on heterogeneous surfaces is crucial for material science.
Purpose of the Study:
- To investigate the adsorption of pairwise interacting particles on bivariate diffusion-limited aggregates (BDLA).
- To explore the impact of surface composition and particle interactions on adlayer structure.
- To characterize adsorption isotherms and heats of adsorption on these novel fractal substrates.
Main Methods:
- Grand canonical Monte Carlo (GCMC) simulations were employed.
- A bivariate diffusion-limited aggregate (BDLA) model was developed using lattice-based aggregation rules.
- Adsorption isotherms and differential heats of adsorption were calculated.
Main Results:
- The BDLA surface morphology was controlled by varying the fractions of two- and four-bond units.
- Repulsive lateral interactions between adsorbed particles led to diverse structural orderings.
- Ordered phases were analyzed in relation to the topological properties of the BDLA.
Conclusions:
- BDLA surfaces offer tunable fractal properties for studying adsorption.
- Particle interactions significantly influence adlayer ordering on complex substrates.
- The study provides insights into structure-property relationships in adsorbed layers on fractal surfaces.
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