RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

Show Detailed Complexation Query Results


Surface Complex Formation Data:

Mineral: Bentonite
Reference: TOFHH94
SCM Type: CC - Constant Capacitance
Ligand: CO3<2-> - carbonate
Site Type: »Al-OH
Equation: »Al-OH + CO3<2-> + 2 H<1+>  ⇔  »Al-OH2-HCO3
LogK: 34.729         LogK2.31 nm−2 (SSD-normalized):   38.08
Experiment: Best Estimate
Ionic Strength:
Temperature: 343.0 K
Solid/Liquid Ratio: 10.0 g/L
pH Range: 5 - 12
Fit Method:
Comment: 70 °C; estimated from sorption data onto goethite; assumed that only the clay mineral, montmorillonite, contributes to Np sorption; logK(int): calculated by multiplying the stability constants of the corresponding aqueous complexes to Ks;
FIT Method: GESPER (modified version of the CHEMTRN code);
!! 2 SSA values measured (BET, EGME) --> not clear which one was used for modelling --> here BET SSA is linked with the modelling results;
original equation in the study: »Al-OH + HCO3<1-> + H<1+> = »Al-OH2-HCO3, logK = 24.4 (NEA-TDB: CO3<2-> + H<1+> => HCO3<1->, logK = 10.329)
 
1 data sets were retrieved