RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

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Surface Complex Formation Data:

Mineral: Bentonite
Reference: SVSBC98
SCM Type: DDL - Diffuse Double Layer
Ligand: UO2<2+> - uranyl(VI)
Site Type: »X-OH
Equation: »X-OH + 2 UO2<2+> + CO3<2-> + 3 H2O  ⇔  »X-O-(UO2)2CO3(OH)3<2-> + 2 H<1+>
LogK: 11.54        LogK°I=0 (Conversion to I = 0):   12.61         LogK2.31 nm−2 (SSD-normalized):   15.48
Experiment: Batch Sorption Experiments
Ionic Strength: 0.1 mol/L granitic water
Temperature: 298.0 K
Solid/Liquid Ratio: 1.98 g/L
pH Range: 4-11
Ligand Concentration Range: 6.67E-7 mol/L
Fit Method: FITEQL
Comment: recaculation of the given equation: »X-OH + H<1+> = »X-OH2<1+> logK2 =- pK1; »X-OH2<1+>+(UO2)2(OH)3CO3<1->=»X-OH2-UO2(CO3)3<3-> logK7; 2UO2<2+>+HCO3<1->+3H2O=(UO2)2(OH)3CO3<1->+4H<1+> logKU5=-11.22; »X-OH+UO2<2+>+H<1+>+2CO3<2->=»X-OH2-UO2(CO3)2<3-> logK7+logKU4+logK2; CO3<2->+H<1+>=HCO3<1-> logKCO3=10.327; »X-OH+2UO2<2+>+3H2O+CO3<2->=»X-OH2-(UO2)2(OH)3CO3 logK7++logKU5+logKCO3+logK2
 
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