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Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds

Published online by Cambridge University Press:  19 October 2011

B. Elizabeth Anderson ,
U. Becker ,
K. B. Helean  and
R. C. Ewing
B. Elizabeth Anderson
Affiliation:
[email protected], University of Michigan, Geological Sciences, 2534 C. C. Little Building, 1100 North University Ave, Ann Arbor, 48109-1005, Virgin Islands (U.S.), 337 212 9256, 734 763 4690
U. Becker
Affiliation:
[email protected], University of Michigan, Geological Sciences, 2534 C. C. Little Building, 1100 North University Ave, Ann Arbor, MI, 48109-1005, United States
K. B. Helean
Affiliation:
[email protected], Sandia National Laboratories, Albuquerque, NM, 87123, United States
R. C. Ewing
Affiliation:
[email protected], University of Michigan, Geological Sciences, Material Science, and Nuclear Engineering, Ann Arbor, MI, 49109, United States
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Abstract

Investigations on the behavior of the radioactive element technetium frequently use a stable isotope of rhenium as an analogue. This is justified by citing the elements' similar radii, major oxidation states of +7 and +4, and eH-pH diagrams. However, recent studies (e.g.,[1] have shown this analogy to be imperfect. Therefore, one goal of our study is to compare the behavior of these elements with emphasis on the adsorption of perrhenate and pertechnetate (the major forms of Re and Tc in natural waters) on mineral surfaces.

Quantum mechanical calculations were performed on the adsorption of these two anions on relaxed clusters of the well-characterized sulfide galena (PbS) and some other Fe and S-bearing materials. With these calculations, we gain insight into differences between the anions' adsorption behavior, including geometry, adsorption energies, and electronic structure. Differences between interactions on terraces and step edges, the effects of co-adsorbates such as Na+ and Cl-, and chloride complexation are also explored. The influence of water was calculated using homogeneous dielectric fluids.

As a complement to the calculations, batch sorption tests are in progress involving ReO4-/TcO4- solution in contact with Fe metal, 10% Fe-doped hydroxyapatite, goethite, hematite, magnetite, pyrite, galena, and sphalerite.

Keywords

ReSelectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 985: Symposium NN – Scientific Basis for Nuclear Waste Management XXX , 2006 , 0985-NN12-09
Copyright
Copyright © Materials Research Society 2007

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