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Modeling rare earth elements binding to humic acids with model VII

hal.structure.identifierGéosciences Rennes [GR]
dc.contributor.authorMARSAC, Remi
hal.structure.identifierGéosciences Rennes [GR]
dc.contributor.authorCATROUILLET, Charlotte
hal.structure.identifierGéosciences Rennes [GR]
dc.contributor.authorDAVRANCHE, Mélanie
hal.structure.identifierGéosciences Rennes [GR]
dc.contributor.authorCOZ, Martine Bouhnik-Le
dc.contributor.authorBRIANT, Nicolas
hal.structure.identifierInteractions Sol Plante Atmosphère [UMR ISPA]
dc.contributor.authorJANOT, Noémie
hal.structure.identifierUniversity of Leeds
dc.contributor.authorOTERO-FARIÑA, Alba
hal.structure.identifierWageningen University and Research [Wageningen] [WUR]
dc.contributor.authorGROENENBERG, Jan
hal.structure.identifierGéosciences Rennes [GR]
dc.contributor.authorPÉDROT, Mathieu
hal.structure.identifierGéosciences Rennes [GR]
dc.contributor.authorDIA, Aline
dc.date.accessioned2024-04-08T11:52:37Z
dc.date.available2024-04-08T11:52:37Z
dc.date.issued2021-04
dc.identifier.issn0009-2541
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/195489
dc.description.abstractEnRare earth elements (REE) naturally occur at trace levels in natural systems but, due to their increasing use in modern technologies, they are now released into the environment, and considered as emerging contaminants. Therefore, the development of numerical predictive models of their speciation in various physico-chemical conditions is required to predict their behavior, transport and potentially toxic effects on ecosystems. Because REE speciation is largely affected by natural organic matter, such as humic acids (HA), this study aimed at calibrating an advanced humic-ion binding model (Model VII) to allow predicting REE-HA binding in various pH conditions, ionic strength and [REE]/[HA], as well as presence of competitor ions. First, REE complexation to monodentate O-containing ligands was evaluated using the Irving-Rossotti equation, which provided constraints for the optimization of REE-HA binding parameters for Model VII. Predictive capacities of Model VII were demonstrated by successfully modeling the effects of various cations (Al3+, Fe3+, Cu2+ and Ca2+) and carbonates on REE-HA binding. The large range of physico-chemical conditions for which Model VII is applicable suggest that the present model parameters might be used to more accurately predict the role played by NOM on REE speciation in very contrasting environments, such as in groundwaters, rivers, estuaries, seawater, soils or sediments. Therefore, this study provides a valuable numerical tool to predict the fate of REE in the environment.
dc.description.sponsorshipLe devenir des contaminants est contrôlé par la spéciation de la matière organique colloïdale - ANR-18-CE01-0008
dc.language.isoen
dc.publisherElsevier
dc.subject.enRare earth elements
dc.subject.enLanthanides
dc.subject.enHumic acid
dc.subject.enNatural organic matter
dc.subject.enComplexation
dc.subject.enModeling
dc.subject.enPHREEQC
dc.subject.enModel VII
dc.subject.enSpeciation
dc.subject.enCompetition
dc.subject.enCopper
dc.subject.enAluminium
dc.subject.enIron
dc.subject.enCarbonate
dc.title.enModeling rare earth elements binding to humic acids with model VII
dc.typeArticle de revue
dc.identifier.doi10.1016/j.chemgeo.2021.120099
dc.subject.halPlanète et Univers [physics]/Sciences de la Terre/Géochimie
bordeaux.journalChemical Geology
bordeaux.page120099
bordeaux.volume567
bordeaux.hal.laboratoriesInteractions Soil Plant Atmosphere (ISPA) - UMR 1391*
bordeaux.institutionBordeaux Sciences Agro
bordeaux.institutionINRAE
bordeaux.peerReviewedoui
hal.identifierinsu-03137052
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//insu-03137052v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Chemical%20Geology&rft.date=2021-04&rft.volume=567&rft.spage=120099&rft.epage=120099&rft.eissn=0009-2541&rft.issn=0009-2541&rft.au=MARSAC,%20Remi&CATROUILLET,%20Charlotte&DAVRANCHE,%20M%C3%A9lanie&COZ,%20Martine%20Bouhnik-Le&BRIANT,%20Nicolas&rft.genre=article


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