Thermodynamics of reversible gas adsorption on alkali-metal exchanged zeolites--the interplay of infrared spectroscopy and theoretical calculations |
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Authors: | Otero Areán C Nachtigallová D Nachtigall P Garrone E Rodríguez Delgado M |
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Affiliation: | Departamento de Química, Universidad de las Islas Baleares, E-07122 Palma de Mallorca, Spain. dqueep0@uib.es |
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Abstract: | Detailed understanding of weak solid-gas interactions giving rise to reversible gas adsorption on zeolites and related materials is relevant to both, fundamental studies on gas adsorption and potential improvement on a number of (adsorption based) technological processes. Combination of variable-temperature infrared spectroscopy with theoretical calculations constitutes a fruitful approach towards both of these aims. Such an approach is demonstrated here (mainly) by reviewing recent studies on hydrogen and carbon monoxide adsorption (at a low temperature) on alkali-metal exchanged ferrierite. However, the methodology discussed, which involves the interplay of experimental measurements and theoretical calculations at the periodic DFT level, should be equally valid for many other gas-solid systems. Specific aspects considered are the identification of gas adsorption complexes and thermodynamic studies related to standard adsorption enthalpy and entropy. |
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