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Computational investigation of dual filler-incorporated polymer membranes for efficient CO2 and H2 separation: MOF/COF/Polymer mixed matrix membranes
(American Chemical Society, 2023-01-26)
Mixed matrix membranes (MMMs) composed of two different fillers such as metal-organic frameworks (MOFs) and covalent-organic frameworks (COFs) embedded into polymers provide enhanced gas separation performance. Since it ...
A new era of modeling MOF-based membranes: Cooperation of theory and data science
(Wiley, 2024-01)
Membrane-based separation can offer significant energy savings over conventional separation methods. Given their highly customizable and porous structures, metal–organic frameworks- (MOFs) are considered as next-generation ...
Recent advances in simulating gas permeation through MOF membranes
(Royal Society Publishing, 2021-08-21)
In the last two decades, metal organic frameworks (MOFs) have gained increasing attention in membrane-based gas separations due to their tunable structural properties. Computational methods play a critical role in providing ...
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