First-Principles Prediction of Universal Relation Between Exchange Current Density and Adsorption Energy of Rare-Earth Elements in a Molten Salt

Publication date: Available online 26 October 2018Source: Journal of Industrial and Engineering ChemistryAuthor(s): Choah Kwon, Joonhee Kang, Seung Hyo Noh, Byungchan HanAbstractUsing first-principles calculations we developed, for the first time, atomistic-level kinetics model to identify a key descriptor controlling electrochemical behaviors of various rare-earth ions solvated in molten salt electrolyte depositing on a solid electrode. We identified that the thermodynamic adsorption energies of rare-earth elements in the metallic electrode have a universal relation with exchange current densities. Our studies can be very useful guide to separate high-level radioactive nuclear materials and industrially valuable rare-earth materials, which can substantially relieve the environmental protection issues in nuclear waste disposal.Graphical abstractBased on the micro-kinetic model, relation between adsorption energy on W(110) electrode and exchange current density is shown in graphical abstract, which exchange current density is maximum at optimum adsorption energy and decreases when the adsorption energy is far from optimum adsorption energy.
Source: Journal of Industrial and Engineering Chemistry - Category: Chemistry Source Type: research