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KMID : 1059519900340050389
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Journal of the Korean Chemical Society
1990 Volume.34 No. 5 p.389 ~ p.395
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Thermodynamic Characteristics of Alkanes C1-C5 and Benzene in K+ Ion Exchanged Zeolite L
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Moon Sung-Doo
Kim Yang
Kim Un-Sik
Choi Dai-Ung
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Abstract
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The potential energy of interaction of alkanes C1-C5 and benzene with K+ ion exchanged zeolite L was calculated by applying the atom-atom approximation. For benzene molecule, the atomic charges used for the potential energy calculations were derived from the experimental enthalpy of K+ ion-benzene interaction. The thermodynamic characteristics of the adsorption of the adsorbate molecules (the changes in the internal energy and the isosteric heats at very low coverages) and the potential maps of the adsorbate molecules were determined on basis of the calculated values of potential energy. The calculated values of the isosteric heats agreed fairly well with experimental data for alkanes C1-C5, whereas the calculated isosteric heat for benzene was somewhat greater than that for the experimental value.
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