RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

Show Detailed Complexation Query Results

Surface Complex Formation Data:

Mineral:	Calcite
Reference:	SPJL12
SCM Type:	CDM - (CD-)MUSIC
Ligand:	PO4<3-> - phosphate
Site Type:	»Ca-OH<-2/3>
Equation:	2 »Ca-OH<-2/3> + PO4<3-> + Ca<2+> + 2 H2O + 3 H<1+> ⇔ »Ca2-O2-P(OH)(O-Ca)<+2/3>
LogK:	46.179 LogK°_I=0 (Conversion to I = 0): 46.18
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:	1.3E-7 - 2E-5 mol/L
Fit Method:	PHREEQC
Comment:	Model C: bidentate-binuclear coordination (Ca2-O2-P-O2); original equation in the study: 2»Ca-OH<-2/3> + CaHPO4<0> = »Ca2-O2-P(OH)(O-Ca)<+2/3> + 2OH<1->, log K = 2.94±0.29 (Ca<2+> + HPO4<2-> = CaHPO4<0>, log K = 2.739; H<1+> + PO4<3-> = HPO4<2->, log K = 12.5±0.03; H2O = H<1+> + OH<1->, log K = -14 (wateq4f))

1 data sets were retrieved