Article,
Spectroscopic and theoretical analyses of the reaction of SrO in molten chloride and fluoride salts
Contributors
Yang W.
0000-0001-9716-9459
[1]
[4]
Yoon S.
0000-0003-2416-4125
[1]
Amphlett J.T.M.
0000-0002-0135-587X
[1]
[5]
Kim S.
0000-0002-7959-8249
(Corresponding author)
[3]
Choi S.
0000-0002-7164-8491
(Corresponding author)
[4]
Affiliations
- [1] Korea Advanced Institute of Science and Technology [NORA names: South Korea; Asia, East; OECD];
- [2] Korea Atomic Energy Research Institute [NORA names: South Korea; Asia, East; OECD];
- [3] Hanyang University [NORA names: South Korea; Asia, East; OECD];
- [4] Seoul National University [NORA names: South Korea; Asia, East; OECD];
- [5] Seaborg Technologies [NORA names: Other Companies; Private Research; Denmark; Europe, EU; Nordic; OECD]
Abstract
In this paper, the reaction of SrO in molten chloride and fluoride systems is investigated using Raman spectroscopy, combined with density functional theory calculations. The formation of SrOCl was observed in various salt compositions, including LiCl, LiCl-KCl, and LiCl-LiF, at temperatures ranging from 298 K to 923 K. Thermodynamic calculations estimated that SrOCl is more stable than SrO and SrCl, while no stable strontium oxyfluoride compound was found. The results were also supported by X-ray analyses: Extended X-ray absorption fine structure analysis indicated that the local structure of Sr in LiCl-KCl and LiCl-LiF consists of one oxygen and six chlorides, corresponding to a complex with a similar local structure of SrOCl. Additionally, SrOCl was found in LiCl-LiF, and no strontium compound was observed in LiF-KF using X-ray diffraction. These results provide a comprehensive understanding of the dissolution structures of strontium oxyhalide in molten chloride and fluoride systems.
