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.
|Number of pages||9|
|Journal||Physica A: Statistical Mechanics and its Applications|
|Publication status||Published - Oct 15 2012|
All Science Journal Classification (ASJC) codes
- Statistics and Probability
- Condensed Matter Physics