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An Evaluation of UiO‐66 for Gas‐Based Applications
Author(s) -
Wiersum Andrew D.,
SoubeyrandLenoir Estelle,
Yang Qingyuan,
Moulin Beatrice,
Guillerm Vincent,
Yahia Mouna Ben,
Bourrelly Sandrine,
Vimont Alexandre,
Miller Stuart,
Vagner Christelle,
Daturi Marco,
Clet Guillaume,
Serre Christian,
Maurin Guillaume,
Llewellyn Philip L.
Publication year - 2011
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.201100201
Subject(s) - adsorption , metal organic framework , molecule , isothermal microcalorimetry , monte carlo method , porosity , thermal stability , materials science , zirconium , infrared , chemistry , inorganic chemistry , organic chemistry , thermodynamics , physics , statistics , mathematics , optics , enthalpy
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 CH 4 , CO, and CO 2 . These properties, in conjunction with its significant adsorption capacity, make UiO‐66 of interest for its further evaluation for CO 2 recovery in industrial applications. This global approach suggests a strategy for the evaluation of metal–organic frameworks for gas‐based applications.