TY - JOUR
T1 - Multilayer adsorption by Monte Carlo simulation
AU - Molina-Mateo, J.
AU - Salmerón Sánchez, M.
AU - Monleón Pradas, M.
AU - Torregrosa Cabanilles, C.
N1 - Funding Information:
The authors would like to acknowledge the support provided by the Conselleria d’Educació of the Generalitat Valenciana through the GV/ 2009/033 project.
PY - 2012/10/15
Y1 - 2012/10/15
N2 - 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.
AB - 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.
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U2 - 10.1016/j.physa.2012.05.016
DO - 10.1016/j.physa.2012.05.016
M3 - Article
AN - SCOPUS:84863463878
VL - 391
SP - 4774
EP - 4782
JO - Physica A: Statistical Mechanics and its Applications
JF - Physica A: Statistical Mechanics and its Applications
SN - 0378-4371
IS - 20
ER -