Model predictions of metal speciation in freshwaters compared to measurements by in situ techniques

E.R. Unsworth, K.W. Warnken, H. Zhang, W. Davison, F. Black, J. Buffle, J. Cao, R.F.M.J. Cleven, J. Galceran, P. Gunkel, E.J.J. Kalis, D. Kistler, H.P. van Leeuwen, M. Martin, S. Noel, Y. Nur, N. Odzak, J. Pauy, W.H. van Riemsdijk, L. SiggE.J.M. Temminghoff, M.L. Tercier-Waeber, S. Topperwien, R.M. Town, L.P. Weng, Hanbin Xue

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148 Citations (Scopus)


Measurements of trace metal species in situ in a softwater river, a hardwater lake, and a hardwater stream were compared to the equilibrium distribution of species calculated using two models, WHAM 6, incorporating humic ion binding model VI and visual MINTED incorporating NICA-Donnan. Diffusive gradients in thin films (DGT) and voltammetry at a gel integrated microelectrode (GIME) were used to estimate dynamic species that are both labile and mobile. The Donnan membrane technique (DMT) and hollow fiber permeation liquid membrane (HFPLM) were used to measure free ion activities. Predictions of dominant metal species using the two models agreed reasonably well, even when colloidal oxide components were considered. Concentrations derived using GIME were generally lower than those from DGT, consistent with calculations of the lability criteria that take into account the smaller time window available for the flux to GIME. Model predictions of free ion activities generally did not agree with measurements, highlighting the need for further work and difficulties in obtaining appropriate input data
Original languageEnglish
Pages (from-to)1942-1949
JournalEnvironmental Science and Technology
Issue number6
Publication statusPublished - 2006


  • donnan membrane technique
  • permeation liquid-membrane
  • dissolved organic-matter
  • biotic ligand model
  • humic substances
  • natural-waters
  • ion-binding
  • thin-films
  • diffusive gradients
  • acute toxicity

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