Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 118, Issue 10, Pages 5397-5405Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp412433a
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Funding
- Agence Nationale de la Recherche [ANR-2010-BLAN-0822]
- GENCI [i2014086114, i2014087069]
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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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