Lattice-gas modeling of adsorption on nanotube bundles at criticality

P.M. Pasinetti, J.L. Riccardo and A.J. Ramirez-Pastor

Physica A: Statistical Mechanics and its Applications, 2005, vol. 355, issue 2, 383-392

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) wL, interaction energy between nearest-neighbor particles adsorbed along a single channel and (2) wT, interaction energy between particles adsorbed across nearest-neighbor channels. We focus on 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 (kB being the Boltzmann constant) and wL/wT. 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.

Keywords: Lattice-gas model; Adsorption thermodynamics; Phase transitions; Monte Carlo simulation (search for similar items in EconPapers)
Date: 2005
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:355:y:2005:i:2:p:383-392

DOI: 10.1016/j.physa.2005.03.030

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