Liquidus temperature–composition model for multi-component glasses in the Fe, Cr, Ni, and Mn spinel primary phase field

Abstract

We developed an extensive T L database of simulated high-level waste (HLW) glasses within the spinel primary phase field. Partial-molar T Ls, T i , were determined for all components that were systematically varied in database glasses ( i=Al, B, Ca, Cr, Fe, K, Li, Mg, Mn, Na, Ni, Si, Ti, U, and Zr). A clear relationship was found between the T i values and ion potential. This led to a new model that can accurately predict the T L of glasses within component concentration ranges of the database. The model gives slightly better predictability than a first-order expansion of T L in composition while using only half of the fitted parameters and offers an improvement in predictability over previously published models. The success of this model gives insight to the nature of component effects on T L, which warrants further investigation. Specifically, the concentrations of glass components appear to be influential on T L in proportion to the character of their bonds or their ionic potential.