Lattice-gas Monte Carlo study of adsorption in pores

Details Lattice-gas Monte Carlo study of adsorption in pores Lattice-gas Monte Carlo study of adsorption in pores

2003-07-30

arxiv.org/abs/cond-mat/0307732v1

Physics

Condensed Matter

Statistical Mechanics

Scientific paper

10.1103/PhysRevE.69.011605

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

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