Research on the transport and thermodynamic properties of Sr2+ and Cs+ in LiCl–KCl using deep potential molecular dynamics

Abstract

This study used classical and deep potential molecular dynamics simulations to investigate the effects of strontium (Sr) and cesium (Cs) fission products on the properties of LiCl–KCl eutectic salts at temperatures of 723 K, 773 K, and 823 K. The physical properties, ion behavior, and thermodynamics in salt were explored. The results show that density, viscosity, and conductivity change with temperatures and concentrations. In addition, the study also provides a detailed information of the self-diffusion coefficient and activity coefficient of Cs⁺ and Sr²⁺ in the molten salt, which are of great significance for the electrochemical separation of Sr and Cs.