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Multilayer adsorption by Monte Carlo simulation

Author

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

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.

Suggested Citation

  • Molina-Mateo, J. & Salmerón Sánchez, M. & Monleón Pradas, M. & Torregrosa Cabanilles, C., 2012. "Multilayer adsorption by Monte Carlo simulation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 391(20), pages 4774-4782.
  • Handle: RePEc:eee:phsmap:v:391:y:2012:i:20:p:4774-4782
    DOI: 10.1016/j.physa.2012.05.016
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