Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds.

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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 and major oxidation states of +7 and +4. However, at least one study [1] has shown this analogy to be imperfect. Therefore, one goal of our study is to compare the adsorption behavior of perrhenate and pertechnetate (the major forms of Re and Tc in natural waters) on a number of different mineral surfaces. Quantum mechanical calculations were performed on the adsorption of these two anions on a series of iron oxides ... continued below

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Anderson, B. E.; Becker, U.; Helean, K. B. & Ewing, R. C. September 15, 2006.

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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 and major oxidation states of +7 and +4. However, at least one study [1] has shown this analogy to be imperfect. Therefore, one goal of our study is to compare the adsorption behavior of perrhenate and pertechnetate (the major forms of Re and Tc in natural waters) on a number of different mineral surfaces. Quantum mechanical calculations were performed on the adsorption of these two anions on a series of iron oxides and sulfides. With these calculations, we gain insight into any differences between the anions adsorption behavior, including geometry, adsorption energies, and electronic structure such as density of states and orbital shapes and energies at the adsorption site. Differences between interactions on terraces and step edges, the effects of co-adsorbates such as Na{sup +} or H{sup +}, and possible reduction mechanisms are also explored. The influence of water was calculated using homogeneous dielectric fluids and explicit water molecules. As a complement to the calculations, batch sorption tests are in progress involving ReO{sub 4}{sup -}/TcO{sub 4}{sup -} solution in contact with Fe metal, 10% Fe-doped hydroxyapatite, goethite, hematite, magnetite, pyrite, galena, and sphalerite.

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  • Report No.: NA
  • Grant Number: NA
  • DOI: 10.2172/894740 | External Link
  • Office of Scientific & Technical Information Report Number: 894740
  • Archival Resource Key: ark:/67531/metadc888765

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Office of Scientific & Technical Information Technical Reports

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  • September 15, 2006

Added to The UNT Digital Library

  • Sept. 22, 2016, 2:13 a.m.

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  • Oct. 21, 2016, 2:54 p.m.

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Anderson, B. E.; Becker, U.; Helean, K. B. & Ewing, R. C. Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds., report, September 15, 2006; Las Vegas, Nevada. (digital.library.unt.edu/ark:/67531/metadc888765/: accessed October 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.