Application of pyrrolidinomethylcalix[4]arene coated silica adsorbent for the removal of Chicago sky blue 6B dye from water samples: Equilibrium and computational modelling studies

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dc.authoridJunejo, Ranjhan/0000-0002-0090-1146
dc.authoridEBENSO, ENO/0000-0002-0411-9258
dc.contributor.authorJunejo, Ranjhan
dc.contributor.authorJalbani, Nida Shams
dc.contributor.authorKaya, Savas
dc.contributor.authorErkan, Sultan
dc.contributor.authorEbenso, Eno E.
dc.date.accessioned2024-10-26T18:09:25Z
dc.date.available2024-10-26T18:09:25Z
dc.date.issued2021
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this study, silica surface has been coated using pyrrolidinomethylcalix[4]arene through the chemical modification of silanol groups. The pyrrolidinomethylcalix[4]arene-coated silica (PCS) adsorbent was characterized using the Fourier transform infrared and scanning electron microscopic technique. The adsorptive removal efficiency of PCS adsorbent was checked through batch studies with various effective parameters such adsorbent dose, pH, and temperature. During experiments, it has been observed that maximum adsorption was achieved in acidic to neutral pH and 25 mg.L-1 of PCS dose, while the kinetic models demonstrates that the pseudo 2nd order equation was the best fit (R-2 0.99). The thermodynamic experiments described that the reaction is exothermic and spontaneous. Furthermore, equilibrium models were applied on experimental data and it has been noticed that the equilibrium data was best-fitted with Langmuir isotherm model (R-2 0.99). The DFT analysis of dye molecule is helpful to examine the chemical interaction sites of absorbent and adsorbent using B3LYP/LANL2DZ/6-311++G (d,p) level using G09W software.
dc.identifier.doi10.1080/10610278.2022.2134016
dc.identifier.endpage597
dc.identifier.issn1061-0278
dc.identifier.issn1029-0478
dc.identifier.issue10
dc.identifier.scopus2-s2.0-85140322804
dc.identifier.scopusqualityQ3
dc.identifier.startpage586
dc.identifier.urihttps://doi.org/10.1080/10610278.2022.2134016
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30086
dc.identifier.volume33
dc.identifier.wosWOS:000870597800001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofSupramolecular Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectSilica resin
dc.subjectdyes adsorption
dc.subjectthermodynamic and kinetic modelling
dc.subjectDFT calculations
dc.titleApplication of pyrrolidinomethylcalix[4]arene coated silica adsorbent for the removal of Chicago sky blue 6B dye from water samples: Equilibrium and computational modelling studies
dc.typeArticle

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