The molten salt reactor (MSR) is a promising nuclear reactor design where the fissile fuel is a liquid instead of a solid. Though there are many possible molten salt fuels, the most promising eutectics contain uranium chlorides or fluorides. However, there is limited knowledge about key phase equilibria among important compositions. The goal of this project is to model the temperature dependent chloride and fluoride phase diagram of relevant mixtures. We plan to do this by carrying out a binary and ternary structure search using the Universal Structure Prediction Program (USPEX) paired with density-functional theory (DFT), and with a new approach to coordination dependent calculation of phase diagram (CALPHAD) assessments. The theoretical investigations are carried out concurrently with experimental  x-ray diffraction and Raman studies. This new approach could significantly improve the accuracy of modeling molten salt systems and understanding of molten salt environments. This talk will discuss results regarding surrogate molten salt systems.

Multi-scale investigation of molten salts for molten salt reactors

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.