Configurational entropy of interacting particles adsorbed on one-dimensional channels arranged in a triangular structure

P. M. PASINETTI; J. L. RICCARDO; A. J. RAMIREZ-PASTOR

JOURNAL OF CHEMICAL PHYSICS

American Institute of Physics

Lugar: USA; Año: 2005 p. 154708 - 154714

0021-9606

The configurational entropy of interacting particles adsorbed on one-dimensional channels arranged in a triangular cross-sectional structure is studied by combining Monte Carlo simulation and thermodynamic integration method. Three different energies have been considered in the adsorption process: e o, constant interaction energy between a monomer and an adsorption site; (2) wL, interaction energy between nearest-neighbor particles adsorbed along a single channel, and (3) wT, interaction energy between particles adsorbed across nearest-neighbor channels. Special attention is devoted to the case of repulsive transversal interactions (wT>0), for which a rich variety of ordered phases are observed in the adlayer, depending on the value of the parameters kBT/wT (being kB the Boltzmann constant) and wL/wT. The influence of each ordered structure on the configurational entropy of the adlayer has been analyzed and discussed in the context of the lattice-gas model.