Multilayer adsorption by Monte Carlo simulation

Molina-Mateo, J., Salmerón-Sánchez, M., Monleón Pradas, M. and Torregrosa Cabanilles, C. (2012) Multilayer adsorption by Monte Carlo simulation. Physica A: Statistical Mechanics and its Applications, 391(20), pp. 4774-4782. (doi:10.1016/j.physa.2012.05.016)

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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.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Salmeron-Sanchez, Professor Manuel
Authors: Molina-Mateo, J., Salmerón-Sánchez, M., Monleón Pradas, M., and Torregrosa Cabanilles, C.
College/School:College of Science and Engineering > School of Engineering > Biomedical Engineering
Journal Name:Physica A: Statistical Mechanics and its Applications
ISSN:0378-4371
ISSN (Online):1873-2119
Published Online:22 May 2012

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