Publication:
Recent advances in simulating gas permeation through MOF membranes

dc.contributor.authorDağlar, H.
dc.contributor.authorFındıkçı, İlknur Eruçar
dc.contributor.authorKeskin, S.
dc.contributor.departmentMechanical Engineering
dc.contributor.ozuauthorFINDIKÇI, Ilknur Eruçar
dc.date.accessioned2022-09-14T06:10:41Z
dc.date.available2022-09-14T06:10:41Z
dc.date.issued2021-08-21
dc.description.abstractIn 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 molecular-level information about the membrane properties and identifying the most promising MOF membranes for various gas separations. In this review, we discuss the current state-of-the-art in molecular modeling methods to simulate gas permeation through MOF membranes and review the recent advancements. We finally address current opportunities and challenges of simulating gas permeation through MOF membranes to guide the development of high-performance MOF membranes in the future.en_US
dc.identifier.doi10.1039/d1ma00026hen_US
dc.identifier.endpage5317en_US
dc.identifier.issn2633-5409en_US
dc.identifier.issue16en_US
dc.identifier.scopus2-s2.0-85113160869
dc.identifier.startpage5300en_US
dc.identifier.urihttp://hdl.handle.net/10679/7862
dc.identifier.urihttps://doi.org/10.1039/d1ma00026h
dc.identifier.volume2en_US
dc.identifier.wos000680452700001
dc.language.isoengen_US
dc.publisherRoyal Society Publishingen_US
dc.relation.ispartofMaterials Advances
dc.rightsopenAccess
dc.rights.urihttps://creativecommons.org/licenses/by-nc/3.0/
dc.titleRecent advances in simulating gas permeation through MOF membranesen_US
dc.typereviewen_US
dspace.entity.typePublication
relation.isOrgUnitOfPublicationdaa77406-1417-4308-b110-2625bf3b3dd7
relation.isOrgUnitOfPublication.latestForDiscoverydaa77406-1417-4308-b110-2625bf3b3dd7

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