Abstract
The molecular statistical calculations of the thermodynamic characteristics of adsorption by silicalite at very low coverages using the atom—atom approximation for the potential energy of intermolecular interaction were carried out. The Henry constants, K 1, the initial isosteric heats of adsorption, q st.1, and the changes in the standard differential entropies, ΔṠ 1 0, for the number of substances of different classes: noble gases, diatomic molecules (H 2, N 2, O 2, CO), H 2O, NH 3, CO 2, n-alkanes C 1–C 6, ethylene, acetylene and benzene were calculated. The linear correlation between the calculated values of q st.1 and the average polarizability of adsorbate molecules was found. The correlation dependence was obtained also for the values of ΔṠ 1 0 and the effective dimensions of molecules. The linear interrelation between the values of ΔṠ 1 0 and changes in the equilibrium entropy, q st.1 T was shown.
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