Engineering Commons^™

Modeling Complex Oxides: Thermochemical Behavior Of Nepheline-Forming Na-Al-Si-B-K-Li-Ca-Mg-Fe-O And Hollandite-Forming Ba-Cs-Ti-Cr-Al-Fe- Ga-O Systems, Stephen A. Utlak

Theses and Dissertations

High concentrations of Na2O and Al2O3 in the liquid high-level radioactive waste (HLW) stored at the Hanford Site can cause nepheline (NaAlSiO4) to precipitate in a vitrified monolithic waste form upon cooling. Nepheline phase formation removes glass- former SiO2 and -modifier Al2O3 from the immobilization matrix in greater proportion to alkalis, which can reduce glass durability and consequently increase the leach rate of radionuclides into the surrounding environment.

Current uncertainty in defining the HLW glass composition region prone to precipitating nepheline necessitates targeting a conservative waste loading, which raises operational costs by extending the liquid radioactive waste disposal mission and …

Thermodynamic Modeling Of Uranium And Oxygen Containing Ternary Systems With Gadolinium, Lanthanum, And Thorium, Jacob Wesley Mcmurray

Doctoral Dissertations

The CALPHAD method is used to assess the thermodynamic properties and phase relations in the U-M-O system where M = Gd, La, and Th. A compound energy formalism (CEF) model for fluorite UO_2±x [urania] is extended to represent the complex U_1-yM_yO_2±x [urania solid solution] phases. The lattice stabilities for fictive GdO₂ [gadolinia] and LaO₂ [lanthana] fluorite structure compounds are calculated from density functional theory (DFT) for use in the CEF for U_1-yM_yO_2±x [urania solid solution phase] while U⁶⁺ [uranium 6 plus cation] is introduced into the …