6533b862fe1ef96bd12c647a

RESEARCH PRODUCT

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

Gérald ChaplaisNicolas GeoffroyAlain H. FuchsVolker HaigisFrançois-xavier CoudertGuy WeberDavid BousquetAnthony BallandrasJean-pierre BellatAurélie U. OrtizGuillaume OrtizAnne BoutinIgor BezverkhyyJoël Patarin

subject

Vapor pressureInorganic chemistryVapour pressure of waterchemistry.chemical_element02 engineering and technology010402 general chemistry01 natural sciencesAdsorptionPhase (matter)[CHIM]Chemical SciencesPhysical and Theoretical ChemistryGalliumComputingMilieux_MISCELLANEOUSPhase diagram[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materials[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryGeneral EnergychemistryChemical engineeringMetal-organic framework0210 nano-technologyPorous medium

description

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.

10.1021/jp412433ahttps://hal.archives-ouvertes.fr/hal-02113192