RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

Show Detailed Complexation Query Results


Surface Complex Formation Data:

Mineral: Ferrihydrite
Reference: WDPWX94
SCM Type: DDL - Diffuse Double Layer
Ligand: CO3<2-> - carbonate
Site Type: »Fe-OH
Equation: »Fe-OH + CO3<2-> + H<1+>  ⇔  »Fe-CO3<1-> + H2O
LogK: 21.785        LogK°I=0 (Conversion to I = 0):   22.32         LogK2.31 nm−2 (SSD-normalized):   23.78
Experiment: Potentiometric Titration
Ionic Strength: 0.1 mol/L NaNO3
pH Range: 3.5-9
Ligand Concentration Range: 4.6E-6M C. 8.7E-4M Fe mol/L
Fit Method: FITEQL
Comment: raw data from [ZGSR87]; extrapolation to infinite dilution gives log K=-5.2; closed system; reaction constants for weak and strong surface sites assumed to be equal, pCO2: air - 1%CO2; original reaction equation in the study: »Fe-OH + H2CO3 = »Fe-CO3<1-> + H2O + H<1+> with logK = -5.09, formation constants: 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
 
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