Adsorption of arsenate on Fe-(hydr)oxide

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dc.contributorUniversidad de Medellin, Medellin, Colombia
dc.creatorAcelas N.Y., Flórez E.
dc.date2018-04-13T16:34:59Z
dc.date2018-04-13T16:34:59Z
dc.date2017
dc.date.accessioned2023-11-21T13:55:08Z
dc.date.available2023-11-21T13:55:08Z
dc.descriptionAdsorption using metal oxide materials has been demonstrated to be an effective technique to remove hazardous materials from water, due to its easy operation, low cost, and high efficiency. The high number of oxyanions in aquatic ecosystems causes serious pollution problems. Removal of arsenate (H2AsO4 -), is one of the major concerns, since it is a highly toxic anion for life. Within the metal oxides, the iron oxide is considered as a suitable material for the elimination of oxyanions. The adsorption of H2AsO4 - on Fe-(hydr)oxide is through the formation of inner or outer sphere complexes. In this work, through computational methods, a complete characterization of the adsorbed surface complexes was performed. Three different pH conditions were simulated (acidic, intermediate and basic), and it was found that, the thermodynamic favourability of the different adsorbed complexes was directly related to the pH. Monodentate complex (MM1) was the most thermodynamically favourable complex with an adsorption energy of -96.0kJ/mol under intermediate pH conditions. © Published under licence by IOP Publishing Ltd.
dc.formatapplication/pdf
dc.identifier17426588
dc.identifierhttp://hdl.handle.net/11407/4570
dc.identifier10.1088/1742-6596/935/1/012074
dc.identifier.urihttp://repository-salesiana.heoq.net/handle/123456789/224325
dc.languageeng
dc.publisherInstitute of Physics Publishing
dc.publisherFacultad de Ciencias Básicas
dc.relationhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85041458724&doi=10.1088%2f1742-6596%2f935%2f1%2f012074&partnerID=40&md5=3387b2a14c937b873f8980278153ce4d
dc.relationJournal of Physics: Conference Series
dc.relationOtte, K., Schmahl, W., Pentcheva, R., (2013) J. Phys. Chem. C, 117 (30); Grossl, P., (1997) Environ. Sci. Technol., 31 (2), p. 321; Pena, M., (2006) Environ. Sci. Technol., 40 (4), p. 1257; Jia, Y., (2007) Geochim. Cosmochim. Acta, 71 (7), p. 1643; Arai, Y., Sparks, D., (2001) J. Colloid Interface Sci., 241 (2), p. 317; Waychunas, G., Davis, J., Fuller, C., (1995) Geochim. Cosmochim. Acta, 59 (17), p. 3655; Waychunas, G., (1993) Geochim. Cosmochim. Acta, 57 (10), p. 2251; Acelas, N., (2013) Comp. Theor. Chem., 1005, p. 16; Acelas, N., (2017) Inorg Chem., 56 (9), p. 5455; Acelas, N., Flórez, E., (2017) Desalination Water Treat., 60, p. 88; Pérez, J., (2008) Theoretical Chemical Physics Group, , (Medelliacute;n: Universidad de Antioquia) ASCEC V-02; Frisch, M., (2009) Gaussian 09, , I W Revision D 01; Bargar, J., (2000) Geochim. Cosmochim. Acta, 64 (16), p. 2737; Fukushi, K., Sverjensky, D., (2007) Geochim. Cosmochim. Acta, 71 (15), p. 3717; Adamescu, A., (2009) Can. J. Chem., 88 (1), p. 65; Adamescu, A., (2011) Environ. Sci. Technol., 45 (24); Ladeira, A., (2001) Geochim. Cosmochim. Acta, 65 (8), p. 1211; Sherman, D., Randall, S., (2003) Geochim. Cosmochim. Acta, 67 (22), p. 4223; Kubicki, J., (2005) J. Am. Chem. Soc., 915, p. 104
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.sourceScopus
dc.subjectAdsorption; Aquatic ecosystems; Characterization; Chemicals removal (water treatment); Driers (materials); Hazardous materials; Hydraulic servomechanisms; Metals; pH; Adsorption energies; High-efficiency; Metal oxide materials; Metal oxides; Monodentate complexes; Outer-sphere complexes; Pollution problems; Surface complex; Iron oxides
dc.titleAdsorption of arsenate on Fe-(hydr)oxide
dc.typeConference Paper
dc.typeinfo:eu-repo/semantics/publishedVersion
dc.typeinfo:eu-repo/semantics/conferenceObject
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