Review of functionalized nano porous membranes for desalination and water purification: MD simulations perspective

dc.authoridKaraman, Ceren/0000-0001-9148-7253
dc.authoridKaraman, Onur/0000-0003-3672-1865
dc.authoridGÜNAY, MUHSİN GÖKHAN/0000-0002-8895-1710
dc.authoridKarimi-maleh, Hassan/0000-0002-1027-481X
dc.authorwosidKaraman, Ceren/ABF-8187-2020
dc.authorwosidGungor, Afsin/B-8478-2016
dc.authorwosidKaraman, Onur/I-8073-2017
dc.authorwosidGÜNAY, MUHSİN GÖKHAN/AAT-8377-2021
dc.authorwosidKarimi-maleh, Hassan/N-1727-2019
dc.contributor.authorGunay, M. Gokhan
dc.contributor.authorKemerli, Ubade
dc.contributor.authorKaraman, Ceren
dc.contributor.authorKaraman, Onur
dc.contributor.authorGungor, Afsin
dc.contributor.authorKarimi-Maleh, Hassan
dc.date.accessioned2024-06-12T11:08:58Z
dc.date.available2024-06-12T11:08:58Z
dc.date.issued2023
dc.departmentTrakya Üniversitesien_US
dc.description.abstractToday, it is known that most of the water sources in the world are either drying out or contaminated. With the increasing population, the water demand is increasing drastically almost in every sector each year, which makes processes like water treatment and desalination one of the most critical environmental subjects of the future. Therefore, developing energy-efficient and faster methods are a must for the industry. Using functional groups on the membranes is known to be an effective way to develop shorter routes for water treatment. Accordingly, a review of nano-porous structures having functional groups used or designed for desalination and water treatment is presented in this study. A systematic scan has been conducted in the literature for the studies performed by molecular dynamics simulations. The selected studies have been classified according to membrane geometry, actuation mechanism, functionalized groups, and contaminant materials. Permeability, rejection rate, pressure, and temperature ranges are compiled for all of the studies examined. It has been observed that the pore size of a well-designed membrane should be small enough to reject contaminant molecules, atoms, or ions but wide enough to allow high water permeation. Adding functional groups to membranes is observed to affect the permeability and the rejection rate. In general, hydrophilic functional groups around the pores increase membrane permeability. In contrast, hydrophobic ones decrease the permeability. Besides affecting water permeation, the usage of charged functional groups mainly affects the rejection rate of ions and charged molecules.en_US
dc.identifier.doi10.1016/j.envres.2022.114785
dc.identifier.issn0013-9351
dc.identifier.issn1096-0953
dc.identifier.pmid36395866en_US
dc.identifier.scopus2-s2.0-85143074206en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.envres.2022.114785
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22636
dc.identifier.volume217en_US
dc.identifier.wosWOS:000896995900001en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherAcademic Press Inc Elsevier Scienceen_US
dc.relation.ispartofEnvironmental Researchen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectNano-Porous Membranesen_US
dc.subjectFunctional Groupsen_US
dc.subjectWater Treatmenten_US
dc.subjectMolecular Dynamicsen_US
dc.subjectGraphene Oxide Membranesen_US
dc.subjectMolecular-Dynamics Simulationen_US
dc.subjectNanoporous Grapheneen_US
dc.subjectAqueous-Solutionen_US
dc.subjectMechanical Strengthen_US
dc.subjectFramework Membranesen_US
dc.subjectCarbon Nanotubesen_US
dc.subjectIon Rejectionen_US
dc.subjectHeavy-Metalsen_US
dc.subjectNitrate Ionen_US
dc.titleReview of functionalized nano porous membranes for desalination and water purification: MD simulations perspectiveen_US
dc.typeReview Articleen_US

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