title: Adsorption of uranium composites onto saltrock oxides - experimental and theoretical study.
abstract: The study encompassed experimental mass spectrometric and theoretical quantum chemical studies on adsorption of uranium species in different oxidation states of the metal ion, and oxides of UxOy(n+) type, where x = 1 or 3, y = 2 or 8, and n = 0, 1 or 2 onto nanosize-particles of saltrock oxides MO (M = Mg(II), Ca(II), Ni(II), Co(II), Sr(II) or Ba(II)), M2Oy (M = Au(III) or Ag(I), y = 3 or 1) silicates 3Al2O3.2SiO2, natural kaolinite (Al2O2·2SiO2·2H2O), illite (K0.78Ca0.02Na0.02(Mg0.34Al1.69Fe(III)0.02)[Si3.35Al0.65]O10(OH)2·nH2O), CaSiO3, 3MgO·4SiO2,H2O, and M(1)M(2)(SiO4)X2 (M(1) = M(2) = Al or M(1) = K, M(2) = Al, X = F or Cl), respectively. The UV-MALDI-Orbitrap mass spectrometry was utilized in solid-state and semi-liquid colloidal state, involving the laser ablation at λex = 337.2 nm. The theoretical modeling and experimental design was based on chemical-, physico-chemical, physical and biological processes involving uranium species under environmental conditions. Therefore, the results reported are crucial for quality control and monitoring programs for assessment of radionuclide migration. They impact significantly the methodology for evaluation of human health risk from radioactive contamination. The study has importance for understanding the coordination and red-ox chemistry of uranium compounds as well. Due to the double nature of uranium between rare element and superconductivity like materials as well as variety of oxidation states ∈ (+1)-(+6), the there remain challenging areas for theoretical and experimental research, which are of significant importance for management of nuclear fuel cycles and waste storage.
authors.affiliation: Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie und Chemische Biologie, Universität Dortmund, Otto-Hahn-Strasse 6, 44221 Dortmund, Nordrhein-Westfalen, Germany. Electronic address: B.Ivanova@infu.uni-dortmund.de.
authors.forename: Bojidarka
authors.initials: B
authors.lastname: Ivanova
authors.affiliation: Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie und Chemische Biologie, Universität Dortmund, Otto-Hahn-Strasse 6, 44221 Dortmund, Nordrhein-Westfalen, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Spiteller
mesh_terms: D000327:Adsorption; D008962:Models, Theoretical; D010087:Oxides / Q000737:chemistry*; D014501:Uranium / Q000737:chemistry*
chemical_list: D010087:Oxides; D014501:Uranium
keywords: Adsorption; Mass spectrometry; Quantum chemistry; Saltrock oxides; Uranium