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

Año: 2005 vol. 122 p. 1547081 - 1547087

0021-9606

The configurational entropy of interacting particles adsorbed on one-dimensional channels arrangedin a triangular cross-sectional structure is studied by combining Monte Carlo simulation andthermodynamic integration method. Three different energies have been considered in the adsorptionprocess: s1d eo, constant interaction energy between a monomer and an adsorption site; s2d wL,interaction energy between nearest-neighbor particles adsorbed along a single channel, and s3d wT,interaction energy between particles adsorbed across nearest-neighbor channels. Special attention isdevoted to the case of repulsive transversal interactions swT.0d, for which a rich variety of orderedphases are observed in the adlayer, depending on the value of the parameters kBT/wT sbeing kB theBoltzmann constantd and wL /wT. The influence of each ordered structure on the configurationalentropy of the adlayer has been analyzed and discussed in the context of the lattice-gas model.