Fitted Affinity Constants of Adsorbed Phosphate
Complexes Derived by Fitting Adsorption Data for Charge Distribution Values Derived from MO/DFT-Optimized Geometries and Corrected for Dipole Orientation; S/L ratio = 3 g/L (0.4 mM ini. PO4 conc., <0.001, 0.05, 0.10, 0.30, 0.40, 0.50 M NaNO3); S/L ratio = 3 - 9 g/L (0.4 - 0.8 mM ini. PO4 conc., 0.5 M NaNO3); 2 »Fe-OH<0.5-> + PO4<3-> + 2 H<1+> = »Fe2-O2<-1+Δz0>-PO2<Δz1> + 2 H2O, Δz0 = 0.46, Δz1 = -1.46)