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Lattice-gas Monte Carlo study of adsorption in pores
Raluca A Trasca1, M Mercedes Calbi, Milton W Cole
1Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16802, USA.
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.
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