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

Unsworth, Emily R. and Warnken, Kent W. and Zhang, Hao and Davison, William and Black, Frank and Buffle, Jacques and Cao, Jun and Cleven, Rob and Galceran, Josep and Gunkel, Peggy and Kalis, Erwin and Kistler, David and Van Leeuwen, Herman P. and Martin, Michel and Noël, Stéphane and Nur, Yusuf and Odzak, Niksa and Puy, Jaume and Van Riemsdijk, Willem and Sigg, Laura and Temminghoff, Erwin and Tercier-Waeber, Mary-Lou and Toepperwien, Stefanie and Town, Raewin M. and Weng, Liping and Xue, Hanbin (2006) Model Predictions of Metal Speciation in Freshwaters Compared to Measurements by In Situ Techniques. Environmental Science and Technology, 40 (6). pp. 1942-1949. ISSN 0013-936X

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 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.