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Model predictions of metal speciation in freshwaters compared to measurements by in situ techniques
Authors:Unsworth Emily R  Warnken Kent W  Zhang Hao  Davison William  Black Frank  Buffle Jacques  Cao Jun  Cleven Rob  Galceran Josep  Gunkel Peggy  Kalis Erwin  Kistler David  Van Leeuwen Herman P  Martin Michel  Noël Stéphane  Nur Yusuf  Odzak Niksa  Puy Jaume  Van Riemsdijk Willem  Sigg Laura  Temminghoff Erwin  Tercier-Waeber Mary-Lou  Toepperwien Stefanie  Town Raewyn M  Weng Liping  Xue Hanbin
Affiliation:Department of Environmental Science, University of Lancaster, Lancaster LA1 4YQ, United Kingdom.
Abstract: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 forthe fluxto 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.
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