A relatively simple model, the associate species model, is being applied to nuclear waste glass compositions in order to accurately predict behavior and thermodynamic activities in the material. In the model, the glass is treated as a supercooled liquid, with the liquid species allowed to exist below their melting point. The approach requires an initial assembly of binary and ternary oxide liquid solution data that sufficiently reproduce the equilibrium phase diagrams. Two binary oxide subsystems, MgO-CaO and MgO-Al2O3, have been modeled and results compared to published phase diagrams. Computed activities of the glass constituent species are plotted as a function of composition at 1200°C.
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Besmann, T.M., Spear, K.E. & Beahm, E.C. Thermochemical Models for Nuclear Waste Glass Subsystems–MgO-CaO and MgO-Al2O3. MRS Online Proceedings Library 556, 383 (1998). https://doi.org/10.1557/PROC-556-383