Thermodynamics of reversible gas adsorption on alkali-metal exchanged zeolites -: the interplay of infrared spectroscopy and theoretical calculations

被引:90
作者
Arean, C. Otero [1 ]
Nachtigallova, D.
Nachtigall, P.
Garrone, E.
Delgado, M. Rodriguez
机构
[1] Univ Balearic Isl, Dept Quim, E-07122 Palma de Mallorca, Spain
[2] Acad Sci Czech Republ, Inst Organ Chem & Biochem, CZ-16610 Prague, Czech Republic
[3] Ctr Biomol & Complex Mol Syst, CZ-16610 Prague, Czech Republic
[4] Politecn Torino, Dipartimento Sci Mat & Ingn Chim, I-10126 Turin, Italy
关键词
D O I
10.1039/b615535a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:1421 / 1436
页数:16
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