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Published on: February 22, 2018
Configurational entropy of interacting particles adsorbed on one-dimensional channels arranged in a triangular
P M Pasinetti1, J L Riccardo, A J Ramirez-Pastor
1Departamento de Física, Universidad Nacional de San Luis, Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) Chacabuco 917, 5700 San Luis, Argentina.
Abstract:
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: (1) epsilono, 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.
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