Computational Chemistry Approach to Interpret the Crystal Violet Adsorption on Golbasi Lignite Activated Carbon

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dc.authoridDepci, Tolga/0000-0001-9562-8068
dc.authoridSarikaya, Musa/0000-0003-4942-4472
dc.authorwosidSarıkaya, Musa/ABG-8736-2020
dc.authorwosidYucel, Aysegul/HGD-4004-2022
dc.authorwosidYucel, Aysegul/A-1860-2018
dc.authorwosidYücel, Ayşegül/W-4869-2019
dc.authorwosidDepci, Tolga/A-2867-2016
dc.contributor.authorDepci, Tolga
dc.contributor.authorSarikaya, Musa
dc.contributor.authorPrisbrey, Keith A.
dc.contributor.authorYucel, Aysegul
dc.date.accessioned2024-08-04T20:42:51Z
dc.date.available2024-08-04T20:42:51Z
dc.date.issued2016
dc.departmentİnönü Üniversitesien_US
dc.descriptionWorld Multidisciplinary Earth Sciences symposium (WMESS) -- SEP 05-09, 2016 -- Prague, CZECH REPUBLICen_US
dc.description.abstractIn this paper, adsorption mechanism of Crystal Violet (CV) dye from the aqueous solution on the activated carbon prepared from Golbasi lignite was explained and interpreted by a computational chemistry approach and experimental studies. Molecular dynamic simulations and Ab initio frontier orbital analysis indicated relatively high energy and electron transfer processes during adsorption, and molecular dynamics simulations showed CV dye molecules moving around on the activated carbon surface after adsorption, facilitating penetration into cracks and pores. The experimental results supported to molecular dynamic simulation and showed that the monolayer coverage occurred on the activated carbon surface and each CV dye ion had equal sorption activation energy.en_US
dc.description.sponsorshipLAMA Energy Grp,LAMA Gas & Oilen_US
dc.identifier.doi10.1088/1755-1315/44/5/052026
dc.identifier.issn1755-1307
dc.identifier.scopus2-s2.0-85001060857en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.urihttps://doi.org/10.1088/1755-1315/44/5/052026
dc.identifier.urihttps://hdl.handle.net/11616/97610
dc.identifier.volume44en_US
dc.identifier.wosWOS:000391485900134en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherIop Publishing Ltden_US
dc.relation.ispartofWorld Multidisciplinary Earth Sciences Symposium (Wmess 2016), Pts 1-4en_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subject[No Keywords]en_US
dc.titleComputational Chemistry Approach to Interpret the Crystal Violet Adsorption on Golbasi Lignite Activated Carbonen_US
dc.typeConference Objecten_US

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