Lattice-gas modeling of adsorption on nanotube bundles at criticality

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

PHYSICA A - STATISTICAL AND THEORETICAL PHYSICS

Elsevier

Lugar: Oxford; Año: 2005 vol. 355 p. 383 - 392

0378-4371

Adsorption thermodynamics of interacting particles adsorbed on nanotube bundles isstudied through a lattice-gas model and Monte Carlo simulations. The adsorbent is modeledas one-dimensional channels of equivalent adsorption sites arranged in a triangular crosssectional 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 focuson the case of repulsive transversal interactions ðwT40Þ, for which a rich variety of orderedphases are observed in the adlayer, depending on the value of the parameters kBT=wT (kBbeing the Boltzmann constant) and wL=wT . The influence of each ordered structure onadsorption isotherms and differential heat of adsorption has been analyzed and discussed inthe context of the lattice-gas theory.