info:eu-repo/semantics/article
Lattice-gas model of nonadditive interacting particles on nanotubes bundles
Fecha
2011-02-08Registro en:
Pinto, Oscar Alejandro; Pasinetti, Pedro Marcelo; Nieto Quintas, Felix Daniel; Ramirez Pastor, Antonio Jose; Lattice-gas model of nonadditive interacting particles on nanotubes bundles; American Institute of Physics; Journal of Chemical Physics; 134; 64702; 8-2-2011; 1-8
0021-9606
1089-7690
CONICET Digital
CONICET
Autor
Pinto, Oscar Alejandro
Pasinetti, Pedro Marcelo
Nieto Quintas, Felix Daniel
Ramirez Pastor, Antonio Jose
Resumen
In the present paper, the adsorption thermodynamics of a lattice-gas model which mimics a nanoporous environment is studied by considering nonadditive interactions between the adsorbed particles. It is assumed that the energy linking a certain atom with any of its nearest neighbors strongly depends on the state of occupancy in the first coordination sphere of such an adatom. By means of Monte Carlo (MC) simulations in the grand canonical ensemble, adsorption isotherms and differential heats of adsorption were calculated. Their striking behaviors were analyzed and discussed in terms of the low temperature phases formed in the system. Finally, the results obtained from MC simulations were compared with the corresponding ones from Bragg–Williams approximation.