Abstract
We present a determination of the adsorption heat at low coverage by means of infrared measurements of the v 3 band of N 2 O, CO 2 , OCS and CS 2 molecules in NaA and KNaA zeolites. Potential energy calculation is based on two models: molecule considered as a whole or divided in bonds and atoms. The attention is focused on the dispersion and repulsion terms. The comparison with experimental values leads to the conclusion that the atom-atom model is more adequate when the interaction is strong.
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