RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

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Surface Complex Formation Data:

Mineral: Goethite
Reference: SPH08
SCM Type: 1pK-BS - 1pK-Basic Stern
Ligand: UO2<2+> - uranyl(VI)
Site Type: »Fe-singly
Equation: »Fe-OH<0.5-> + UO2<2+> + CO3<2-> + H<1+>  ⇔  (»Fe-O)-CO3UO2
LogK: 22.935        LogK°I=0 (Conversion to I = 0):   23.90         LogK2.31 nm−2 (SSD-normalized):   23.01
Experiment: Batch Sorption Experiments
Ionic Strength: 0.1 mol/L NaNO3
Temperature: 298.15 K
Solid/Liquid Ratio: 0.09 g/L
pH Range: 3-10
Ligand Concentration Range: 1E-7 mol/L
Fit Method: EQLFOR
Comment: maximum surface loading 0.026 wt% U; assumption that UO2<2+> only forms complexes with the »Fe-OH<0.5-> surface sites on the {101} surface and the »Fe-O<0.5-> surface sites on {101} do not form complexes with UO2<2+>; original equation in the article: »Fe-OH<0.5-> + UO2<2+> + H2CO3 = (»Fe-O)2-CO3UO2 + H<1+> with logK = 6.24; thermodynamic data: logK1 = -6.366 for the reaction H2CO3 = H<1+> + HCO3<1->[FNK96], logK2 = -10.329 for HCO3<1-> = H<1+> + CO3<2-> [GFFGN03] --> so for H2CO3 = 2H<1+> + CO3<2-> the logK = -16.695; original reaction equation apparently wrong
 
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