Publication:
Recent advances in simulating gas permeation through MOF membranes

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dc.contributor.coauthorEruçar, İlknur
dc.contributor.departmentDepartment of Chemical and Biological Engineering
dc.contributor.departmentGraduate School of Sciences and Engineering
dc.contributor.kuauthorHarman, Hilal Dağlar
dc.contributor.kuauthorKeskin, Seda
dc.contributor.schoolcollegeinstituteCollege of Engineering
dc.contributor.schoolcollegeinstituteGRADUATE SCHOOL OF SCIENCES AND ENGINEERING
dc.date.accessioned2024-11-09T12:26:04Z
dc.date.issued2021
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.
dc.description.fulltextYES
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.indexedbyPubMed
dc.description.issue16
dc.description.openaccessYES
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuEU
dc.description.sponsorshipEuropean Union (EU)
dc.description.sponsorshipHorizon 2020
dc.description.sponsorshipEuropean Research Council (ERC)
dc.description.sponsorshipERC-2017-Starting Grant
dc.description.sponsorshipResearch and Innovation Programme
dc.description.sponsorshipCOSMOS
dc.description.versionPublisher version
dc.description.volume2
dc.identifier.doi10.1039/d1ma00026h
dc.identifier.eissn2633-5409
dc.identifier.embargoNO
dc.identifier.filenameinventorynoIR03142
dc.identifier.quartileN/A
dc.identifier.scopus2-s2.0-85113160869
dc.identifier.urihttps://hdl.handle.net/20.500.14288/1651
dc.identifier.wos680452700001
dc.keywordsAdsorption separation
dc.keywordsThermal-conductivity
dc.keywordsSelective adsorption
dc.keywordsTransport-properties
dc.keywordsComposite membranes
dc.language.isoeng
dc.publisherRoyal Society of Chemistry (RSC)
dc.relation.grantno756489
dc.relation.ispartofMaterials Advances
dc.relation.urihttp://cdm21054.contentdm.oclc.org/cdm/ref/collection/IR/id/9819
dc.subjectMaterials science
dc.titleRecent advances in simulating gas permeation through MOF membranes
dc.typeReview
dspace.entity.typePublication
local.contributor.kuauthorKeskin, Seda
local.contributor.kuauthorHarman, Hilal Dağlar
local.publication.orgunit1College of Engineering
local.publication.orgunit1GRADUATE SCHOOL OF SCIENCES AND ENGINEERING
local.publication.orgunit2Department of Chemical and Biological Engineering
local.publication.orgunit2Graduate School of Sciences and Engineering
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