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dc.contributor.authorGaspari, Francesca de
dc.contributor.authorSaaltink, Maarten Willem
dc.contributor.authorCarrera Ramírez, Jesús
dc.contributor.authorSlooten, Luit Jan
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament d'Enginyeria del Terreny, Cartogràfica i Geofísica
dc.date.accessioned2015-05-11T14:31:57Z
dc.date.available2017-05-02T00:30:46Z
dc.date.created2015-04
dc.date.issued2015-04
dc.identifier.citationDe Gaspari, F. [et al.]. Use of redundant data to reduce estimation errors in geochemical speciation. "Applied geochemistry", Abril 2015, vol. 55, p. 184-191.
dc.identifier.issn0883-2927
dc.identifier.urihttp://hdl.handle.net/2117/27879
dc.description.abstractSpeciation is the process of evaluating the concentrations of all the species in a chemical system from equilibrium conditions and measured data such as total concentrations of components, electrical conductivity, pH, redox potential or gas partial pressure. It is essential for analyzing geochemical data and defining the chemical composition of waters for geochemical modeling problems like evaluating the chemical composition of evaporating, diluting, mixing waters or reactive transport. We present an algorithm that reduces estimation errors in chemical speciation calculations by means of the use of redundant data. Redundant data are measurements and assumptions that exceed the minimum required, and therefore are not strictly necessary, to speciate a water sample. The proposed method was compared with the classical speciation algorithm on two synthetic examples. Our results show that using redundant data improves speciation results reducing the estimation error between computations and measurements. In fact, the larger the amount of redundant data, the better the speciation in terms of errors of the estimated concentrations. (C) 2014 Elsevier Ltd. All rights reserved.
dc.format.extent8 p.
dc.language.isoeng
dc.subjectÀrees temàtiques de la UPC::Enginyeria química::Química del medi ambient::Química de l’aigua
dc.subjectÀrees temàtiques de la UPC::Enginyeria civil::Geologia::Hidrologia
dc.subject.lcshSpeciation (Chemistry)--Methodology
dc.subject.otherREACTIVE TRANSPORT
dc.subject.otherEQUILIBRIUM CALCULATIONS
dc.subject.otherCALCITE DISSOLUTION
dc.subject.otherUNCERTAINTY
dc.subject.otherPROPAGATION
dc.subject.otherPROGRAM
dc.subject.otherMODELS
dc.titleUse of redundant data to reduce estimation errors in geochemical speciation
dc.typeArticle
dc.subject.lemacEspeciació (Química)
dc.contributor.groupUniversitat Politècnica de Catalunya. GHS - Grup d'Hidrologia Subterrània
dc.identifier.doi10.1016/j.apgeochem.2014.12.005
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttp://www.sciencedirect.com/science/article/pii/S0883292714003047
dc.rights.accessOpen Access
drac.iddocument15596147
dc.description.versionPostprint (author’s final draft)
upcommons.citation.authorDe Gaspari, F.; Saaltink, M.; Carrera, J.; Slooten, L.
upcommons.citation.publishedtrue
upcommons.citation.publicationNameApplied geochemistry
upcommons.citation.volume55
upcommons.citation.startingPage184
upcommons.citation.endingPage191


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