CX-018993: Understanding Molten Salt Chemistry Relevant to Advanced Molten Salt Reactors through Complementary Synthesis, Spectroscopy, and Modeling – University of Tennessee

The University of Tennessee, in collaboration with Oak Ridge National Laboratory and University of California Riverside, proposes to synthesize and purify uranium trichloride/uranium tetrachloride in sodium chloride, lithium chloride, and magnesium chloride; validate experimental methodology by comparing physical (e.g. viscosity, density, heat capacity) and spectroscopic (ultraviolet-visible) data with literature sources; apply x-ray absorption fine structure spectroscopy, analysis of the pair distribution function, and neutron diffraction to investigate the uranium coordination environment and its influence on sodium chloride,  lithium chloride, and magnesium chloride structure; computationally investigate the structure, excited states, and chemical reactivity of uranium trichloride/uranium tetrachloride in sodium chloride, lithium chloride, and magnesium chloride through molecular dynamics, time dependent density functional theory, and ab initio molecular dynamics studies; and synthesize, characterize, and simulate uranium trichloride/uranium tetrachloride in sodium chloride/magnesium chloride and lithium chloride/magnesium chloride eutectic mixtures.