Inclusion property of Cs, Sr, and Ba impurities in LiCl crystal formed by layer-melt crystallization

Conference · Mon Jul 01 00:00:00 EDT 2013

OSTI ID:22257866

Choi, Jung-Hoon; Cho, Yung-Zun; Lee, Tae-Kyo; Eun, Hee-Chul; Kim, Jun-Hong; Park, Hwan-Seo; Kim, In-Tae; Park, Geun-Il ^[1]

---

1. Nuclear Fuel Cycle Waste Treatment Research Division, Korea Atomic Energy Research Institute, Daejeon, 305-353 (Korea, Republic of)

Pyroprocessing is one of the promising technologies enabling the recycling of spent nuclear fuels from a commercial light water reactor (LWR). In general, pyroprocessing uses dry molten salts as electrolytes. In particular, LiCl waste salt after pyroprocessing contains highly radioactive I/II group fission products mainly composed of Cs, Sr, and Ba impurities. Therefore, it is beneficial to reuse LiCl salt in the pyroprocessing as an electrolyte for economic and environmental issues. Herein, to understand the inclusion property of impurities within LiCl crystal, the physical properties such as lattice parameter change, bulk modulus, and substitution enthalpy of a LiCl crystal having 0-6 at% Cs{sup +} or Ba{sup 2+} impurities under existence of 1 at% Sr{sup 2+} impurity were calculated via the first-principles density functional theory. The substitution enthalpy of LiCl crystals having 1 at% Sr{sup 2+} showed slightly decreased value than those without Sr{sup 2+} impurity. Therefore, through the substitution enthalpy calculation, it is expected that impurities will be incorporated within LiCl crystal as co-existed form rather than as a single component form. (authors)

• Research Organization: American Nuclear Society, 555 North Kensington Avenue, La Grange Park, IL 60526 (United States)
• OSTI ID: 22257866
• Resource Relation: Conference: GLOBAL 2013: International Nuclear Fuel Cycle Conference - Nuclear Energy at a Crossroads, Salt Lake City, UT (United States), 29 Sep - 3 Oct 2013; Other Information: Country of input: France; 16 refs.; Related Information: In: Proceedings of GLOBAL 2013: International Nuclear Fuel Cycle Conference - Nuclear Energy at a Crossroads| 1633 p.
• Country of Publication: United States
• Language: English

Related Subjects

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS
BARIUM IONS
CESIUM IONS
CRYSTALLIZATION
CRYSTALS
DENSITY FUNCTIONAL METHOD
ELECTROLYTES
ENTHALPY
FISSION PRODUCTS
FUEL CYCLE
IMPURITIES
INCLUSIONS
LATTICE PARAMETERS
LAYERS
LITHIUM CHLORIDES
MOLTEN SALTS
REPROCESSING
SPENT FUELS
STRONTIUM IONS
WATER COOLED REACTORS
WATER MODERATED REACTORS