期刊
CHEMISTRY-AN ASIAN JOURNAL
卷 6, 期 12, 页码 3270-3280出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/asia.201100201
关键词
adsorption; calorimetry; density functional calculations; metal-organic frameworks; X-ray diffraction
资金
- European Community [228862]
In addition to its high thermal stability, repetitive hydration/dehydration tests have revealed that the porous zirconium terephthalate UiO-66 switches reversibly between its dehydroxylated and hydroxylated versions. The structure of its dehydroxylated form has thus been elucidated by coupling molecular simulations and X-ray powder diffraction data. Infrared measurements have shown that relatively weak acid sites are available while microcalorimetry combined with Monte Carlo simulations emphasize moderate interactions between the UiO-66 surface and a wide range of guest molecules including CH4, CO, and CO2. These properties, in conjunction with its significant adsorption capacity, make UiO-66 of interest for its further evaluation for CO2 recovery in industrial applications. This global approach suggests a strategy for the evaluation of metalorganic frameworks for gas-based applications.
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