| Abstract Scope |
Molten chlorides receive significant research attention due to their potential uses in molten salt reactors and high temperature thermal energy storage systems. Yet, severe corrosion of conventional alloys in molten chlorides remains to be solved. While ceramic coatings may provide an economical solution, the vast design space for ceramics makes it challenging to identify the optimal solution. In this work, we show a thermodynamic framework for assessing the corrosion behavior of ceramics against molten chlorides and demonstrate computationally obtained phase diagrams for Cr, Fe and Ni elements in molten chlorides. The redox potentials for ceramics are computed via mixing atomistic computations and experimental data, and all experimentally observed binary phases with 8 anion species of B, C, N, O, Si, P, S, and As are considered in the models. The results will be discussed in terms of the anion effect on corrosion potential and the composition of molten chloride effects. |