Adsorption Properties of Nax and Bax Zeolites: Correlation between Structural and Thermodynamic Results on Para- and Meta-xylene Adsorption

A comparison is made between NaX and BaX adsorption properties starting from crystallographic data and thermodynamic measurements. Adsorption isotherms and differential adsorption heats of pure para- and meta-xylenes in NaX and BaX zeolites are interpreted in the light of crystallographic results.

Applications of Molecular Modeling in the Study of Small Molecules (N2, O2, Rare Gas) Interactions with Complex Molecular Systems Like Zeolites and Macrocycles