Please use this identifier to cite or link to this item: https://hdl.handle.net/2440/97076
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dc.contributor.authorZhang, N.en
dc.contributor.authorBrugger, J.en
dc.contributor.authorEtschmann, B.en
dc.contributor.authorNgothai, Y.en
dc.contributor.authorZeng, D.en
dc.date.issued2015en
dc.identifier.citationPLoS One, 2015; 10(4):e0119805-1-e0119805-23en
dc.identifier.issn1932-6203en
dc.identifier.issn1932-6203en
dc.identifier.urihttp://hdl.handle.net/2440/97076-
dc.description.abstractKnowledge of the structure and speciation of aqueous Ni(II)-chloride complexes is important for understanding Ni behavior in hydrometallurgical extraction. The effect of concentration on the first-shell structure of Ni(II) in aqueous NiCl2 and NiCl2-MgCl2 solutions was investigated by Ni K edge X-ray absorption (XAS) and UV-Vis spectroscopy at ambient conditions. Both techniques show that no large structural change (e.g., transition from octahedral to tetrahedral-like configuration) occurs. Both methods confirm that the Ni(II) aqua ion (with six coordinated water molecules at RNi-O = 2.07(2) Å) is the dominant species over the whole NiCl2 concentration range. However, XANES, EXAFS and UV-Vis data show subtle changes at high salinity (> 2 mol∙kg(-1) NiCl2), which are consistent with the formation of small amounts of the NiCl+ complex (up to 0.44(23) Cl at a Ni-Cl distance of 2.35(2) Å in 5.05 mol∙kg(-1) NiCl2) in the pure NiCl2 solutions. At high Cl:Ni ratio in the NiCl2-MgCl2-H2O solutions, small amounts of [NiCl2]0 are also present. We developed a speciation-based mixed-solvent electrolyte (MSE) model to describe activity-composition relationships in NiCl2-MgCl2-H2O solutions, and at the same time predict Ni(II) speciation that is consistent with our XAS and UV-Vis data and with existing literature data up to the solubility limit, resolving a long-standing uncertainty about the role of chloride complexing in this system.en
dc.description.statementofresponsibilityNing Zhang, Joël Brugger, Barbara Etschmann, Yung Ngothai, Dewen Zengen
dc.language.isoenen
dc.publisherPublic Library of Scienceen
dc.rights© 2015 Zhang et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are crediteden
dc.subjectMagnesium Chloride; Electrolytes; Ions; Nickel; Water; Solutions; Spectrophotometry, Ultraviolet; Thermodynamics; Models, Chemical; Coordination Complexes; X-Ray Absorption Spectroscopyen
dc.titleThermodynamic modeling of poorly complexing metals in concentrated electrolyte solutions: an X-ray absorption and UV-Vis spectroscopic study of Ni(II) in the NiCl₂-MgCl₂-H₂O systemen
dc.title.alternativeThermodynamic modeling of poorly complexing metals in concentrated electrolyte solutions: an X-ray absorption and UV-Vis spectroscopic study of Ni(II) in the NiCl(2)-MgCl(2)-H(2)O systemen
dc.typeJournal articleen
dc.identifier.doi10.1371/journal.pone.0119805en
pubs.publication-statusPublisheden
dc.identifier.orcidNgothai, Y. [0000-0002-0199-4225]en
Appears in Collections:Earth and Environmental Sciences publications

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