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arxiv: cond-mat/0307732 · v1 · submitted 2003-07-30 · ❄️ cond-mat.stat-mech

Lattice-gas Monte Carlo study of adsorption in pores

classification ❄️ cond-mat.stat-mech
keywords adsorptioncanonicalcarlocylindricalisothermsmean-fieldmodelmonte
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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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