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• W1607130140 abstract "Abstract The effect of parameter consistency and uncertainty (protolysis constants, equilibrium constants) in surface complexation modeling (SCM) is illustrated. As a test case the blind prediction of Cu(II) sorption onto goethite was selected and the Diffuse Double Layer Model (DDLM) was applied. This electrostatic model requires the smallest set of parameters. An uncertainty analysis of the goethite protolysis constants (pK) distribution showed, that the experimentally determined conventional distribution coefficients (KD) could be predicted within one order of magnitude or better. Moreover, the uncertainty analysis concerning the formation constants of the Cu(II) surface species onto goethite was applied, again with encouraging results. We also investigated the effect of using parameters linked to electrostatic models other than DDLM. In the case of sparse SCM data matrices, even such inconsistencies may be tolerated. We conclude that the proposed methodology to cope with insufficient surface complexation datasets can help to estimate distribution coefficients for contaminants in well-defined mineral systems." @default.
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• W1607130140 date "2007-01-01" @default.
• W1607130140 modified "2023-09-24" @default.
• W1607130140 title "Chapter 10 Blind Prediction and Parameter Uncertainty – A Sorption Test Case" @default.
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• W1607130140 doi "https://doi.org/10.1016/s1571-9197(07)07010-3" @default.
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