Water Adsorption in Flexible Gallium-Based MIL-53 Metal-Organic Framework

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TitreWater Adsorption in Flexible Gallium-Based MIL-53 Metal-Organic Framework
Type de publicationJournal Article
Year of Publication2014
AuteursCoudert F-X, Ortiz AU, Haigis V, Bousquet D, Fuchs AH, Ballandras A, Weber G, Bezverkhyy I, Geolfroy N, Bellat J-P, Ortiz G, Chaplais G, Patarin J, Boutin A
JournalJOURNAL OF PHYSICAL CHEMISTRY C
Volume118
Pagination5397-5405
Date PublishedMAR 13
Type of ArticleArticle
ISSN1932-7447
Résumé

Understanding the adsorption of water in metal organic frameworks (MOF), and particularly in soft porous crystals, is a crucial prerequisite before considering MOFs for industrial applications. We report here a joint experimental and theoretical study on the behavior of a gallium-based breathing MOF, Ga-MIL-53, upon water adsorption. By looking at the energetics and thermodynamics of Ga-MIL-53, we demonstrate why it behaves differently from its sibling Al-MIL-53, showing a different phase at room temperature (a nonporous phase) and the presence of a hydrated narrow-pore structure at gas saturation pressure. Moreover, we present a complete water vapor pressure vs temperature phase diagram of Ga-MIL-53 upon water adsorption.

DOI10.1021/jp412433a