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The influence of the atom-wall interaction on adsorption in 4 nm cylindrical pores has been studied using Grand Canonical Monte Carlo simulations. A model with smooth ideal walls has been used to remove the influence of heterogeneous structures. It has been found that the layering transition pressures strongly depend on the atom-wall interaction. The interaction also defines the number of layers adsorbed...
Isotherms, differential enthalpies of adsorption and Henry’s constants were obtained for nitrogen at 300 K on CaX, BaX, SrX and MnX faujasite systems. The experimental data are compared with those obtained by Monte Carlo simulations based on newly derived force fields for describing the interactions between the extra-framework cations and the adsorbates. It is the first time that such good qualitative...
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