Investigation of concentration-dependence of thermodynamic properties of lanthanum, yttrium, scandium and terbium in eutectic LiCl-KCl molten salt

JOURNAL OF NUCLEAR MATERIALS

卷:478

Article

Wang, Yafei¹  Zhou, Wentao¹  Zhang, Jinsuo¹ 

[1] Ohio State Univ, Nucl Engn Program, Dept Mech & Aerosp Engn, Columbus, OH 43210 USA

关键词: Electrochemical separation;    Activity coefficient;    Apparent potential;    Diffusion coefficient;    Molten salt;    Molecular dynamics simulation;   

DOI  :  10.1016/j.jnucmat.2016.05.043

来源: Elsevier

【 摘 要 】

Thermodynamic properties of rare earth metals in LiCl-KCl molten salt electrolyte are crucial to the development of electrochemical separation for the treatment of used nuclear fuels. In the present study, activity coefficient, apparent potential, and diffusion coefficient of lanthanum, yttrium, scandium, and terbium in the molten salt (58 at% LiCl and 42 at% KCl) were calculated by the method of molecular dynamics simulation up to a concentration around 3 at% at temperatures of 723 K and 773 K. It was found that the activity coefficient and the apparent potential increase with the species concentration while diffusion coefficient shows a trend of increase followed by decrease. The calculated results were validated by available measurement data of dilution cases. This research extends the range of data to a wide component and would provide further insight to the pyroprocessing design and safeguards. (C) 2016 Elsevier B.V. All rights reserved.

【 授权许可】

Free