Water Adsorption in Flexible Gallium-Based MIL-53 Metal鈥揙rganic Framework

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• 作者：Fran莽ois-Xavier Coudert ; Aur茅lie U. Ortiz ; Volker Haigis ; David Bousquet ; Alain H. Fuchs ; Anthony Ballandras ; Guy Weber ; Igor Bezverkhyy ; Nicolas Geoffroy ; Jean-Pierre Bellat ; Guillaume Ortiz ; G茅rald Chaplais ; Jo毛l Patarin ; Anne Boutin
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：March 13, 2014
• 年：2014
• 卷：118
• 期：10
• 页码：5397-5405
• 全文大小：392K
• 年卷期：v.118,no.10(March 13, 2014)
• ISSN：1932-7455

文摘

Understanding the adsorption of water in metal鈥搊rganic 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.