|About this Abstract
||MS&T23: Materials Science & Technology
||Thermodynamics of Materials in Extreme Environments
||An Ab Initio Study of the Thermodynamic and Thermophysical Properties of Pu-bearing Salts
||Benjamin W. Beeler, Kai Duemmler, David Andersson
|On-Site Speaker (Planned)
||Benjamin W. Beeler
Plutonium (Pu) bearing salts are of interest in both thermal and fast reactor systems as part of the Generation IV set of advanced reactor design concepts. While some experimental exploration of the properties of Pu salts has been conducted, there remain large gaps in thermodynamic, thermophysical, and thermochemical properties of Pu salt mixtures. In this work, ab initio molecular dynamics (AIMD) simulations are used to calculate select thermophysical and thermodynamic properties of the NaCl-PuCl3 and KF-PuF3 molten salts. The entire compositional range is explored at temperatures from the eutectic points up to 1500 K. Functional fits in the Redlich-Kister form are presented for the inclusion of this data into thermophysical and thermochemical databases. These two molten salt binary systems are both candidates to be a component of fuel salts in advanced molten salt reactors and this work is expected to fill significant knowledge gaps and assist to enable their implementation.