title: An evaluation of UiO-66 for gas-based applications.
abstract: 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.
authors.affiliation: Laboratoire Chimie Provence (UMR 6264), Universités Aix-Marseille I, II et III - CNRS, Centre de Saint Jérôme, 13397 Marseille cedex 20, France.
authors.forename: Andrew D
authors.initials: AD
authors.lastname: Wiersum
authors.forename: Estelle
authors.initials: E
authors.lastname: Soubeyrand-Lenoir
authors.forename: Qingyuan
authors.initials: Q
authors.lastname: Yang
authors.forename: Beatrice
authors.initials: B
authors.lastname: Moulin
authors.forename: Vincent
authors.initials: V
authors.lastname: Guillerm
authors.forename: Mouna Ben
authors.initials: MB
authors.lastname: Yahia
authors.forename: Sandrine
authors.initials: S
authors.lastname: Bourrelly
authors.forename: Alexandre
authors.initials: A
authors.lastname: Vimont
authors.forename: Stuart
authors.initials: S
authors.lastname: Miller
authors.forename: Christelle
authors.initials: C
authors.lastname: Vagner
authors.forename: Marco
authors.initials: M
authors.lastname: Daturi
authors.forename: Guillaume
authors.initials: G
authors.lastname: Clet
authors.forename: Christian
authors.initials: C
authors.lastname: Serre
authors.forename: Guillaume
authors.initials: G
authors.lastname: Maurin
authors.forename: Philip L
authors.initials: PL
authors.lastname: Llewellyn