Lattice-gas Monte Carlo study of adsorption in pores

Raluca A. Trasca, M. Mercedes Calbi, Milton W. Cole, and Jose L. Riccardo
Phys. Rev. E 69, 011605 – Published 30 January 2004
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Abstract

A lattice-gas model of adsorption inside cylindrical pores is evaluated with Monte Carlo simulations. The model incorporates two kinds of sites: (a line of) “axial” sites and surrounding “cylindrical shell” sites, in the ratio 1:7. The adsorption isotherms are calculated in either the grand canonical or canonical ensembles. At low temperature, there occur quasitransitions that would be genuine thermodynamic transitions in mean-field theory. Comparisons between the Monte Carlo and mean-field theory results for the heat capacity and adsorption isotherms are provided.

  • Received 30 July 2003

DOI:https://doi.org/10.1103/PhysRevE.69.011605

©2004 American Physical Society

Authors & Affiliations

Raluca A. Trasca1, M. Mercedes Calbi1, Milton W. Cole1, and Jose L. Riccardo2

  • 1Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16802, USA
  • 2Departamento de Fisica, Universidad Nacional de San Luis, 5700 San Luis, Argentina

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Vol. 69, Iss. 1 — January 2004

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