Abstract
Adsorption thermodynamics of interacting particles adsorbed on nanotube bundles is studied through a lattice-gas model and Monte Carlo simulations. The adsorbent is modeled as one-dimensional channels of equivalent adsorption sites arranged in a triangular cross-sectional structure. Two kinds of lateral interaction energies have been considered: (1) w L , interaction energy between nearest-neighbor particles adsorbed along a single channel and (2) w T , interaction energy between particles adsorbed across nearest-neighbor channels. We focus on the case of repulsive transversal interactions ( w T > 0 ) , for which a rich variety of ordered phases are observed in the adlayer, depending on the value of the parameters k B T / w T ( k B being the Boltzmann constant) and w L / w T . The influence of each ordered structure on adsorption isotherms and differential heat of adsorption has been analyzed and discussed in the context of the lattice-gas theory.
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