2023
DOI: 10.1021/acsami.3c10710
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Connectivity Analysis of Adsorption Sites in Metal–Organic Frameworks for Facilitated Water Adsorption

Zhi-Xun Xu,
Yi-Ming Wang,
Li-Chiang Lin

Abstract: Metal–organic frameworks (MOFs) have recently drawn considerable attention as promising adsorbents to harvest atmospheric water. To achieve an efficient harvesting process, seeking MOFs that demonstrate sharp condensation behavior is the key. Given that the clustering of water molecules in MOFs should be driven by not only MOF–water interactions but also water–water interactions, the spatial arrangement of water adsorption sites in a MOF is therefore crucial. Specifically, this study demonstrates the critical … Show more

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Cited by 5 publications
(2 citation statements)
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“…A simplified version of this method was recently used , to rapidly assess the hydrophobicity or hydrophilicity of MOFs. The simulation was performed only for a single arbitrarily chosen loading value.…”
Section: Introductionmentioning
confidence: 99%
“…A simplified version of this method was recently used , to rapidly assess the hydrophobicity or hydrophilicity of MOFs. The simulation was performed only for a single arbitrarily chosen loading value.…”
Section: Introductionmentioning
confidence: 99%
“…Ideal sorbents for water sorption applications must be optimized with respect to several variables, including the relative humidity (RH) for capillary condensation, the maximum gravimetric capacity, the presence of hysteretic loops and their width, the cycling stability, the kinetics of cycling, the heat of adsorption, the cost of the material, and the environment and health impact of the material constituents . Even though some of these parameters may be correlated, , the full multivariate optimization has proved to be fundamentally challenging. To date, no satisfactory theory that enables this optimization has been proposed.…”
Section: Introductionmentioning
confidence: 99%