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Model Predictions of Metal Speciation in Freshwaters Compared to Measurements by In Situ Techniques

Research output: Contribution to journalJournal article


  • Emily R. Unsworth
  • Kent W. Warnken
  • Frank Black
  • Jacques Buffle
  • Jun Cao
  • Rob Cleven
  • Josep Galceran
  • Peggy Gunkel
  • Erwin Kalis
  • David Kistler
  • Herman P. Van Leeuwen
  • Michel Martin
  • Stéphane Noël
  • Yusuf Nur
  • Niksa Odzak
  • Jaume Puy
  • Willem Van Riemsdijk
  • Laura Sigg
  • Erwin Temminghoff
  • Mary-Lou Tercier-Waeber
  • Stefanie Toepperwien
  • Raewin M. Town
  • Liping Weng
  • Hanbin Xue
<mark>Journal publication date</mark>15/03/2006
<mark>Journal</mark>Environmental Science and Technology
Issue number6
Number of pages8
Pages (from-to)1942-1949
<mark>Original language</mark>English


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 MINTEQ 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.