Structures and stabilities of Cd(II) and Cd(II)-phthalate complexes at the goethite/water interface

Details Structures and stabilities of Cd(II) and Cd(II)-phthalate complexes at the goethite/water interface Structures and stabilities of Cd(II) and Cd(II)-phthalate complexes at the goethite/water interface

Jul 2005

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2005gecoa..69.3219b&link_type=abstract

Geochimica et Cosmochimica Acta, Volume 69, Issue 13, p. 3219-3235.

Computer Science

2

Scientific paper

The complexation of Cd(II) and Cd(II)-phthalate at the goethite/water interface were investigated by EXAFS and IR spectroscopy, by batch adsorption experiments and by potentiometric titrations at 298.15 K. The EXAFS spectra showed Cd(II) to form only inner-sphere corner-sharing complexes with the goethite surface sites in the presence and absence of phthalate. EXAFS spectra also showed the presence of Cd(II)-chloride complexes in 0.1 mol/L NaCl. IR spectra also showed phthalate to form (1) an inner-sphere complex with adsorbed corner-sharing Cd(II) surface complexes in the pH 3.5 to 9.5 and (2) an outer-sphere complex with the same type of corner-sharing Cd(II) complex however at pH > 6, in addition to the inner- and outer-sphere complexes of phthalate reported in a previous study. The potentiometric titration and the batch adsorption data were used to constrain the formation constants of the different Cd(II)-phthalate surface complexes on the dominant {110} and the {001} planes of the goethite. The models were carried out with the Charge Distribution Multisite Complexation model coupled to the Three Plane Model and can predict the molecular-scale speciation of cadmium and phthalate in the presence of goethite. Cd(II) adsorption models calibrated on a 90 m2/g goethite also could accurately predict experimental data for a 37 m2/g goethite of slightly different basic charging properties.

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