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Adsorption of sulfamethoxazole, sulfadiazine and sulfametazine in single and ternary systems on activated carbon. Experimental and DFT computations.

dc.contributor.authorSerna-Carrizales J.C
dc.contributor.authorCollins-Martínez V.H
dc.contributor.authorFlórez E
dc.contributor.authorGomez-Duran C.F.A
dc.contributor.authorPalestino G
dc.contributor.authorOcampo-Pérez R.
dc.date.accessioned2022-09-14T14:33:27Z
dc.date.available2022-09-14T14:33:27Z
dc.date.created2021
dc.identifier.issn1677322
dc.identifier.urihttp://hdl.handle.net/11407/7375
dc.descriptionIn this work the single and ternary removal of sulfonamides (sulfamethoxazole, sulfadiazine and sulfametazine) from water was investigated using granular activated carbon. The single adsorption mechanism was elucidated by obtaining the adsorption isotherms supported by computational calculations. The ternary adsorption was analyzed by using an experimental Box-Behnken type response surface design. The results showed that the total adsorption capacity of activated carbon duplicates in ternary systems compared to single systems. Besides, in both cases the activated carbon showed a greater affinity for removing sulfamethoxazole followed by sulfadiazine and sulfametazine, correspondingly. It was shown that hydrogen bonding interactions presented the highest adsorption energies followed by π-π interactions. From the design of experiments three statistically reliable mathematical models were proposed to estimate the adsorption capacity for each sulfonamide as a function of the solution pH, temperature and initial concentration. Finally, it was shown that sulfonamide ternary adsorption is an endothermic process and that the adsorption rate decreases as a result of partial blockage of the pores due to simultaneous adsorption. © 2020 Elsevier B.V.eng
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85098184919&doi=10.1016%2fj.molliq.2020.114740&partnerID=40&md5=bdf567392d7850b1cf7cc82286290e95
dc.sourceJournal of Molecular Liquids
dc.titleAdsorption of sulfamethoxazole, sulfadiazine and sulfametazine in single and ternary systems on activated carbon. Experimental and DFT computations.
dc.typeArticle
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.publisher.programCiencias Básicas
dc.type.spaArtículo
dc.identifier.doi10.1016/j.molliq.2020.114740
dc.subject.keywordDFT computationseng
dc.subject.keywordResponse surface experiment designeng
dc.subject.keywordSingle and ternary adsorptioneng
dc.subject.keywordSulfonamideseng
dc.subject.keywordActivated carboneng
dc.subject.keywordAmideseng
dc.subject.keywordDesign for testabilityeng
dc.subject.keywordDesign of experimentseng
dc.subject.keywordFunctionseng
dc.subject.keywordHydrogen bondseng
dc.subject.keywordSulfur compoundseng
dc.subject.keywordTernary systemseng
dc.subject.keywordAdsorption capacitieseng
dc.subject.keywordAdsorption mechanismeng
dc.subject.keywordComputational calculationseng
dc.subject.keywordEndothermic processeng
dc.subject.keywordGranular activated carbonseng
dc.subject.keywordHydrogen bonding interactionseng
dc.subject.keywordInitial concentrationeng
dc.subject.keywordResponse surface designseng
dc.subject.keywordAdsorptioneng
dc.relation.citationvolume324
dc.publisher.facultyFacultad de Ciencias Básicas
dc.affiliationSerna-Carrizales, J.C., Centro de Investigación y Estudios de Posgrado, Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, San Luis Potosí, 78260, Mexico
dc.affiliationCollins-Martínez, V.H., Ingeniería y Química de Materiales, Centro de Investigación en Materiales Avanzados, S.C., Miguel de Cervantes #120, Complejo Industrial Chihuahua, Chih, C.P. 31136, Mexico
dc.affiliationFlórez, E., Grupo de materiales con impacto (Mat&mpac), Facultad de Ciencias Básicas, Universidad de Medellín, Colombia
dc.affiliationGomez-Duran, C.F.A., Centro de Investigación y Estudios de Posgrado, Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, San Luis Potosí, 78260, Mexico
dc.affiliationPalestino, G., Centro de Investigación y Estudios de Posgrado, Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, San Luis Potosí, 78260, Mexico
dc.affiliationOcampo-Pérez, R., Centro de Investigación y Estudios de Posgrado, Facultad de Ciencias Químicas, Universidad Autónoma de San Luis Potosí, San Luis Potosí, 78260, Mexico
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dc.type.versioninfo:eu-repo/semantics/publishedVersion
dc.type.driverinfo:eu-repo/semantics/article
dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellín
dc.identifier.repourlrepourl:https://repository.udem.edu.co/
dc.identifier.instnameinstname:Universidad de Medellín


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