The Nephelauxetic parameter [beta] (Table 3) was readily obtained by utilizing the correlation [beta] = B (complex)/B (
free ion), where B (
free ion) for Ni(II) is 1041 [cm.sup.-1] [15].
Comparisons between the
free ion activity of Cd, Cu, and Pb considering 35% inert fractions of DOC and no inert fractions of DOC (Table 1) showed between 2.3 and 3 times higher
free ion activity of the analysed trace metals (Figs 4-6).
Commonly used models to predict metal bioavailability consider the
free ion as the major bioavailable species.
It could happen because the Madelung potential decreases rapidly as the Mg and O coordination decreases, and for the Mg ion at the edge, corner, and other low coordinated (LC) sites the electron affinity becomes comparable with the electron affinity for a
free ion. The calculated relaxed electron affinities of 3-coordinated Mg sites of 1-2 eV demonstrate that they can serve as electron traps [1, 2].
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Here one side of the junction was chosen as Sample 1 in Table 1 and the other side as Sample 1 in Table 2 so as to keep the
free ion concentration equal on each side.
Mannepalli, "Effect of [Cl.sup.-], S[O.sub.4.sup.2-], and fulvate anions on [Cd.sup.2+]
free ion concentrations in simulated rhizosphere soil solutions," Journal of Hazardous Materials, vol.
The
free ion activities of Cd, Cu, Ni, and Zn were calculated from soil solution parameters described above, using WHAM (Windermere Humic Aqueous Model) version 6.0 (Tipping 1994, 1998).
This variation is due to the difference in the concentration of
free ion due to the presence of industry waste, which contain
free ions like K+ Cl-.
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Free ionAlthough substantial proportions of solution Pb were complexed by soluble organic matter,
free ion ([Pb.sup.2+]) concentrations in the soils treated with Pb shot, as calculated with WHAM 6, were increased by up to several orders of magnitude relative to the controls.