RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

Show Detailed Complexation Query Results


Surface Complex Formation Data:

Mineral: Calcite
Reference: ZRHSK05
SCM Type: CC - Constant Capacitance
Ligand: NpO2<1+> - neptunyl(V)
Site Type: »Ca-OH
Equation: »Ca-OH + NpO2<1+> + 2 CO3<2->  ⇔  »Ca-O-NpO2(CO3)2<4-> + H<1+>
LogK: 38.71        LogK°I=0 (Conversion to I = 0):   38.71         LogK2.31 nm−2 (SSD-normalized):   34.19
Experiment: Batch Sorption Experiments
Ionic Strength: 0.0 mol/L
Temperature: 298.15 K
Solid/Liquid Ratio: 1.25 g/L
pH Range: 7.5-9.75
Ligand Concentration Range: 1E-7 mol/L
Fit Method: FITEQL
Comment: background electrolyte calcite equilibrated solution; 24h, 0.03% CO2; if only the »Ca-CO3NpO2CO3<2-> species is included in the fit, logK=-1.14 and the overall fit to the data is still reasonably good; ATTENTION: error in fitting code produced incorrect values. All values need to be increase by +8 log units. (correct 6.20 instead of -1.54 in table 3); original reaction equation in the article: »Ca<+> + NpO2<1+> + 2 HCO3<1-> = »Ca-CO3NpO2CO3<2-> + 2 H<1+> with logK = 6.2, conversion done with the reaction HCO3<1-> = CO3<2-> + H<1+> and logK = -10,33 [JL97] and converted to »CaOH surface species with data taken from Table 2.
 
1 data sets were retrieved