FN Archimer Export Format
PT J
TI Modeling rare earth elements binding to humic acids with model VII
BT 
AF Marsac, Rémi
   Catrouillet, Charlotte
   Davranche, Mélanie
   Bouhnik-Le Coz, Martine
   Briant, Nicolas
   Janot, Noémie
   Otero-Fariña, Alba
   Groenenberg, Jan E.
   Pédrot, Mathieu
   Dia, Aline
AS 1:1;2:1;3:1;4:1;5:2;6:3;7:4;8:5;9:1;10:1;
FF 1:;2:;3:;4:;5:PDG-RBE-BE-LBCM;6:;7:;8:;9:;10:;
C1 Univ Rennes, CNRS, Géosciences Rennes - UMR 6118, F-35000 Rennes, France
   Laboratoire de Biogéochimie des Contaminants Métalliques, Ifremer, Centre Atlantique, F44311 Nantes Cedex 3, France
   ISPA, Bordeaux Sciences Agro, INRAE, F-33140 Villenave d'Ornon, France
   School of Earth and Environment, University of Leeds, Leeds LS2 9JT, UK
   Soil Chemistry and Chemical Soil Quality, Wageningen University, Wageningen University & Research (WUR), P.O. Box 47, 6700 AA Wageningen, the Netherlands
C2 UNIV RENNES, FRANCE
   IFREMER, FRANCE
   INRAE, FRANCE
   UNIV LEEDS, UK
   UNIV WAGENINGEN, NETHERLANDS
SI NANTES
SE PDG-RBE-BE-LBCM
IN WOS Ifremer UPR
   copubli-france
   copubli-p187
   copubli-europe
   copubli-univ-france
IF 4.685
TC 21
UR https://archimer.ifremer.fr/doc/00681/79352/81881.pdf
LA English
DT Article
DE ;Rare earth elements;Lanthanides;Humic acid;Natural organic matter;Complexation;Modeling;PHREEQC;Model VII;Speciation;Competition;Copper;Aluminium;Iron;Carbonate
AB Rare 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. 
PY 2021
PD APR
SO Chemical Geology
SN 0009-2541
PU Elsevier BV
VL 567
UT 000632489500005
DI 10.1016/j.chemgeo.2021.120099
ID 79352
ER

EF