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ECN publication
Evaluation of the performance and limitations of empirical partition-relations and process based multisurface models to predict trace element solubility in soils
Comans, R.N.J.; Groenenberg, B.J.; Dijkstra, J.J.; Bonten, L.T.C.; Vries, W. de
Published by: Publication date:
ECN Environment & Energy Engineering 24-7-2012
ECN report number: Document type:
ECN-V--12-015 Article
Number of pages: Full text:
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Published in: Environmental Pollution (Elsevier), , januari 2012, Vol.volume 166, p.98-107.

Here we evaluate the performance and limitations of two frequently used model-types to predict trace element solubility in soils: regression based “partition-relations” and thermodynamically based “multisurface models”, for a large set of elements. For this purpose partition-relations were derived for As, Ba, Cd, Co, Cr, Cu, Mo, Ni, Pb, Sb, Se, V, Zn. The multi-surface model included aqueous speciation, mineral equilibria, sorption to organic matter, Fe/Al-(hydr)oxides and clay. Both approaches were evaluated by their application to independent data for a wide variety of conditions. We conclude that Freundlich-based partition-relations are robust predictors for most cations and can be used for independent soils, but within the environmental conditions of the data used for their derivation. The multisurface model is shown to be able to successfully predict solution concentrations over a wide range of conditions. Predicted trends for oxy-anions agree well for both approaches but with larger (random) deviations than for cations

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