Non-empirical quantum chemical calculation of Henry and separation constants and heats of adsorption for diatomic gases in faujasite
- 1 January 1997
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 6,p. 531-532
- https://doi.org/10.1039/a608061h
Abstract
The Henry and separation constants and heat of adsorption of N 2 and O 2 in faujasite are calculated in a non-empirical way; they show fair agreement with experiment taking into account the extreme sensitivity of the configuration integral to small variations in interaction energy values.Keywords
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