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Title: Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds

Abstract

Investigations of the behavior of the element {sup 99}Tc frequently use a stable isotope of rhenium as an analogue. This is based on the elements? similar radii, major oxidation states of +7 and +4, and analogous eH-pH diagrams. However, recent studies [1] have shown this analogy to be imperfect. Therefore, one goal of this study is to compare the behavior of these elements, with an emphasis on the adsorption of perrhenate and pertechnetate (the major forms of Re and Tc in natural waters) onto mineral surfaces. Quantum mechanical calculations were performed for the adsorption of these two anions onto relaxed clusters of the well-characterized sulfide galena (PbS). With these calculations, we have gained 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{sup +} and Cl{sup -}, and chloride complexation were 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 ReO{sub 4}{sup -}/TcO{sub 4}{sup -} solution in contact with Fe metal, 10% Fe-doped hydroxyapatite, goethite, hematite, magnetite, pyrite, galena, pyrrhotite, and sphalerite. (authors)

Authors:
;  [1];  [2];  [3]
  1. Geological Sciences, University of Michigan, 2534 C. C. Little Building, 1100 North University Ave, Ann Arbor, MI, 48109-1005 (United States)
  2. Sandia National Laboratories, Albuquerque, NM, 87123 (United States)
  3. Geological Sciences, Material Science, and Nuclear Engineering, University of Michigan, Ann Arbor, MI, 49109 (United States)
Publication Date:
Research Org.:
Materials Research Society, 506 Keystone Drive, Warrendale, PA, 15086-7573 (United States)
OSTI Identifier:
21062436
Resource Type:
Conference
Resource Relation:
Conference: Symposium on Scientific Basis for Nuclear Waste Management, Boston - Massachusetts (United States), 27 Nov - 1 Dec 2006; Other Information: Country of input: France; 15 refs; Related Information: In: Proceedings of the symposium on Scientific Basis for Nuclear Waste Management XXX, by Dunn, Darrell [ed. Southwest Research Inst., San Antonio, Texas (United States)]; Poinssot, Christophe [ed. CEA-Saclay, 91191 Gif-sur-Yvette cedex (France)]; Begg, Bruce [ed. Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia)], v. 985, 663 pages.
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ADSORPTION; APATITES; CHLORINE IONS; DOPED MATERIALS; GALENA; GOETHITE; HEMATITE; IRON; LEAD SULFIDES; MAGNETITE; PERRHENATES; PERTECHNETATES; PYRITE; PYRRHOTITE; RHENIUM; SODIUM IONS; STABLE ISOTOPES; SURFACES; TECHNETIUM 99

Citation Formats

Anderson, B E, Becker, U, Helean, K B, and Ewing, R C. Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds. United States: N. p., 2007. Web.
Anderson, B E, Becker, U, Helean, K B, & Ewing, R C. Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds. United States.
Anderson, B E, Becker, U, Helean, K B, and Ewing, R C. 2007. "Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds". United States.
@article{osti_21062436,
title = {Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds},
author = {Anderson, B E and Becker, U and Helean, K B and Ewing, R C},
abstractNote = {Investigations of the behavior of the element {sup 99}Tc frequently use a stable isotope of rhenium as an analogue. This is based on the elements? similar radii, major oxidation states of +7 and +4, and analogous eH-pH diagrams. However, recent studies [1] have shown this analogy to be imperfect. Therefore, one goal of this study is to compare the behavior of these elements, with an emphasis on the adsorption of perrhenate and pertechnetate (the major forms of Re and Tc in natural waters) onto mineral surfaces. Quantum mechanical calculations were performed for the adsorption of these two anions onto relaxed clusters of the well-characterized sulfide galena (PbS). With these calculations, we have gained 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{sup +} and Cl{sup -}, and chloride complexation were 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 ReO{sub 4}{sup -}/TcO{sub 4}{sup -} solution in contact with Fe metal, 10% Fe-doped hydroxyapatite, goethite, hematite, magnetite, pyrite, galena, pyrrhotite, and sphalerite. (authors)},
doi = {},
url = {https://www.osti.gov/biblio/21062436}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Jul 01 00:00:00 EDT 2007},
month = {Sun Jul 01 00:00:00 EDT 2007}
}

Conference:
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