Multilayer adsorption by Monte Carlo simulation

J. Molina-Mateo, M. Salmerón Sánchez, M. Monleón Pradas and C. Torregrosa Cabanilles

Physica A: Statistical Mechanics and its Applications, 2012, vol. 391, issue 20, 4774-4782

Abstract: Adsorption phenomena are characterized by models that include free parameters trying to reproduce experimental results. In order to understand the relationship between the model parameters and the material properties, the adsorption of small molecules on a crystalline plane surface has been simulated using the bond fluctuation model. A direct comparison between the Guggenheim–Anderson–de Boer (GAB) model for multilayer adsorption and computer simulations allowed us to establish correlations between the adsorption model parameters and the simulated interaction potentials.

Keywords: Bond Fluctuation Model; Multilayer adsorption (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:20:p:4774-4782

DOI: 10.1016/j.physa.2012.05.016

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