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

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dc.contributor.author Depci, Tolga
dc.contributor.author Sarikaya, Musa
dc.contributor.author Prisbrey, Keith A.
dc.contributor.author Yucel, Aysegul
dc.date.accessioned 2019-09-18T06:17:03Z
dc.date.available 2019-09-18T06:17:03Z
dc.date.issued 2016
dc.identifier.citation Depci, T. Sarikaya, M. Prisbrey, KA. Yucel, A. (2016). Computational Chemistry Approach to Interpret the Crystal Violet Adsorption on Golbasi Lignite Activated Carbon. Cilt:44. tr_TR
dc.identifier.uri http://hdl.handle.net/11616/14108
dc.description.abstract In 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. tr_TR
dc.language.iso eng tr_TR
dc.publisher Iop publıshıng ltd, dırac house, temple back, brıstol bs1 6be, england tr_TR
dc.relation.isversionof 10.1088/1755-1315/44/5/052026 tr_TR
dc.rights info:eu-repo/semantics/openAccess tr_TR
dc.title Computational Chemistry Approach to Interpret the Crystal Violet Adsorption on Golbasi Lignite Activated Carbon tr_TR
dc.type article tr_TR
dc.relation.journal World multıdıscıplınary earth scıences symposıum (wmess 2016), pts 1-4 tr_TR
dc.contributor.department İnönü Üniversitesi tr_TR
dc.identifier.volume 44 tr_TR
dc.identifier.issue 0 tr_TR
dc.identifier.startpage 0 tr_TR
dc.identifier.endpage 0 tr_TR


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