An Evaluation of UiO-66 for Gas-Based Applications

作者：Wiersum Andrew D; Soubeyrand Lenoir Estelle; Yang Qingyuan; Moulin Beatrice; Guillerm Vincent; Ben Yahia Mouna; Bourrelly Sandrine; Vimont Alexandre; Miller Stuart; Vagner Christelle; Daturi Marco; Clet Guillaume; Serre Christian; Maurin Guillaume^*; Llewellyn Philip L

来源：Chemistry-An Asian Journal, 2011, 6(12): 3270-3280.

DOI：10.1002/asia.201100201

• adsorption
• calorimetry
• density functional calculations
• metal-organic frameworks
• X-ray diffraction

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.

• 出版日期2011-12-2