Abstract
Simple models of the NaA and CaNaA lattice were developed and applied to the computation of the potential energy of interaction of Ar, Kr, Xe and CH 4 molecules with the zeolite lattice at many points in the large cavity. The corresponding potential reliefs have been constructed and are illustrated in this Paper. The spatial distribution of potential energy was used in molecular statistical computations of Henry constants and isosteric heats of adsorption in the low coverage region. Agreement between calculated and observed thermodynamic characteristics was achieved via selection of the most appropriate formula to calculate the constants of dispersion attraction.
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