Cited 7 time in webofscience Cited 6 time in scopus

First principles thermodynamic studies for recycling spent nuclear fuels using electrorefining with a molten salt electrolyte

Title
First principles thermodynamic studies for recycling spent nuclear fuels using electrorefining with a molten salt electrolyte
Authors
Noh, S[Noh, Seunghyo]Kang, J[Kang, Joonhee]Kwak, D[Kwak, Dohyun]Fischer, P[Fischer, Peter]Han, B[Han, Byungchan]
DGIST Authors
Noh, S[Noh, Seunghyo]; Kang, J[Kang, Joonhee]; Kwak, D[Kwak, Dohyun]; Han, B[Han, Byungchan]
Issue Date
2014-04-15
Citation
Energy, 68, 751-755
Type
Article
Article Type
Article
Keywords
Density Functional TheoryDesign for TestabilityElectrochemical MethodElectrokinesisElectrorefiningFirst-PrinciplesFused SaltsMolten SaltPyro-ProcessRadioactive WastesRecyclingRecycling Spent Nuclear FuelsRedox PotentialRedox ReactionsSaltSpent Nuclear FuelsTechnological DevelopmentThermodynamic PropertiesThermodynamicsTungstenUranium
ISSN
0360-5442
Abstract
Using first principles DFT (density functional theory), we have examined the thermochemical mechanism of electrorefining spent uranium (U) from a LiCl-KCl molten salt on a tungsten (W) surface. We calculated 197 different U/W(110) surfaces to identify the most thermodynamically and electrochemically stable structures as a function of U and Cl coverages. The results indicate that local structures of the double-layer interface between the W(110) surface and the LiCl-KCl salt are the key factors governing the electrorefining performance. The results also provide important thermodynamic properties for the design of efficient recycling systems for spent nuclear fuels, such as pyroprocessing technologies, and may be applicable as well to general electrochemical applications involving strong redox reactions of transition metals exposed to non-aqueous solutions. © 2014 Elsevier Ltd.
URI
http://hdl.handle.net/20.500.11750/3098
DOI
10.1016/j.energy.2014.02.081
Publisher
Elsevier Ltd
Files:
There are no files associated with this item.
Collection:
Energy Science and EngineeringMNEDL(Multifunctional Nanomaterials & Energy Devices Lab)1. Journal Articles
Energy Science and EngineeringEnergy Systems Engineering1. Journal Articles


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