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

FrançoisXavier Coudert | Zendy; Aurélie U. Ortiz | Zendy; Volker Haigis | Zendy; David Bousquet | Zendy; Alain H. Fuchs | Zendy; Anthony Ballandras | Zendy; Guy Weber | Zendy; Igor Bezverkhyy | Zendy; Nicolas Geoffroy | Zendy; Jean-Pierre Bellat | Zendy; Guillaume Ortiz | Zendy; Gérald Chaplais | Zendy; Joël Patarin | Zendy; Anne Boutin | Zendy

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

Author(s) -

FrançoisXavier Coudert,

Aurélie U. Ortiz,

Volker Haigis,

David Bousquet,

Alain H. Fuchs,

Anthony Ballandras,

Guy Weber,

Igor Bezverkhyy,

Nicolas Geoffroy,

Jean-Pierre Bellat,

Guillaume Ortiz,

Gérald Chaplais,

Joël Patarin,

Anne Boutin

Publication year - 2014

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/jp412433a

Subject(s) - metal organic framework , adsorption , phase diagram , materials science , gallium , porosity , saturation (graph theory) , vapor pressure , thermodynamics , phase (matter) , metal , porous medium , chemical engineering , chemistry , metallurgy , composite material , organic chemistry , physics , mathematics , combinatorics , engineering

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.

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