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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