Relativistic density functional calculations for potential energy curves of uranyl nitrate hydrate

Hirata, Masaru; Bastug, T.*; Tachimori, Shoichi; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*

Advances in Quantum Chemistry, Volume 37, p.325 - 333, 2001/00

https://doi.org/10.1016/S0065-3276(00)37023-X

no abstracts in English

Thermodynamic Date for Predicting Concentrations of AnO and AnO Species in Geologic Environments

Choppin, G. R.*; Bronikowski, M.*; Chen, J.*; Byegard, J.*; Rai, D.*; Yui, Mikazu

JNC TN8400 99-012, 155 Pages, 1999/01

JNC-TN8400-99-012.pdf:5.53MB

This report provides thermodynamic data for predicting concentrations of pentavalent and hexavalent actinide species (AnO and AnO) in geologic environments, and contributes to an integration of the JNC chemical thermodynamic database, JNC-TDB (previously PNC-TDB), for the performance analysis of geological isolation system for high-level radioactive wastes. Thermodynamic data for the formation of complexes or compounds with hydroxide, chloride, fluoride, carbonate, nitrate, sulfate and phosphate are discussed in this report. The estimation of the stability constants by use of the Born equation is included. The Pitzer parameters for AnO and AnO, redox potentials and equilibrium constants of redox reactions for actinides are also included.

Development of advanced adsorbent for uranium recovery from seawater based on uranyl coordination chemistry, 1; Molecular design of planar pentadentate ligand and synthesis of its uranyl complex

Takao, Koichiro*; Kaneko, Masashi; Tsushima, Satoru*

no journal, , 

Based on a unique structural character of uranyl ion which favors planar penta-dentate coordination style, we aim to develop advanced absorbent for uranium recovery from seawater. In this study, we designed penta-dentate ligands as the absorber moiety and performed the synthesis and characterization of the uranyl complexes with their ligands.