Multilayer adsorption by Monte Carlo simulation

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

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)4774-4782
Number of pages9
JournalPhysica A: Statistical Mechanics and its Applications
Volume391
Issue number20
DOIs
Publication statusPublished - Oct 15 2012
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Statistics and Probability
  • Condensed Matter Physics

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