RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

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Surface Complex Formation Data:

Mineral: Calcite
Reference: SPJL12
SCM Type: CDM - (CD-)MUSIC
Ligand: AsO4<3-> - arsenate
Site Type: »Ca-OH<-2/3>
Equation: »Ca-OH<-2/3> + AsO4<3-> + Ca<2+> + 2 H<1+>  ⇔  »Ca-O-AsO(OH)(O-Ca)<+1/3> + H2O
LogK: 30.68        LogK°I=0 (Conversion to I = 0):   30.68
Experiment: Batch Sorption Experiments
Ionic Strength: 0.0 mol/L NaCl
Temperature: 294.15 K
Solid/Liquid Ratio: 100.0 g/L
pH Range: 7 - 8.3
Ligand Concentration Range: 1.1E-6; 4.6E-6 mol/L
Fit Method: PHREEQC
Comment: Model A2: monodentate-mononuclear coordination (Ca-O-As-O3); original equation in the study: »Ca-OH<-2/3> + CaHAsO4<0> = »Ca-O-AsO(OH)(O-Ca)<+1/3> + OH<1->, log K = 2.52±0.17 (Ca<2+> + HAsO4<2-> = CaHAsO4<0>, log K = 2.66 (Bothe and Brown, 1999); HAsO4<2-> = AsO4<3-> + H<1+>, log K = -11.50 (Langmuir et al., 2006); H2O = H<1+> + OH<1->, log K = -14 (wateq4f))
 
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