1. HT-NMR Studies of the Be–F Coordination Structure in FNaBe and FLiBe Mixed Salts
- Author
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Sun, Jianchao, Huang, Hailong, Wu, Huiyan, Lin, Yushuang, Yang, Chengkai, Ge, Min, Qian, Yuan, Fu, Xiaobin, and Liu, Hongtao
- Abstract
Molten NaF-BeF2salt is widely considered a promising candidate to replace FLiBe in molten salt reactor applications, which is crucial to reducing the operating costs of the molten salt reactor. Studies on beryllium compounds are rarely conducted due to their volatility and high toxicity. Herein, the Be–F coordination structure of NaF/BeF2mixed salts was investigated in-depth through various HT-NMR and solid-state NMR methods, which are optimized to be appropriate for the detection of beryllium compounds. It was found that Na2BeF4and NaBeF3crystals were transformed into amorphous tetrahedral coordinated networks when there was an increase in the BeF2concentration in the mixed salts. The main coordinate structure comparisons between FNaBe and FLiBe were analyzed, which exhibit high similarity due to the covalent effect of Be–F bonding, demonstrating the theoretical feasibility of applying FNaBe salts as a substitute for FLiBe in MSR systems. In addition, the transition from the crystal phase to the amorphous phase occurred at a lower BeF2concentration for FNaBe than that for FLiBe. This was further verified by the results of ab initiomolecular dynamics (AIMD) simulation that FNaBe melts had more disordered structures, thus causing slight changes in their physical properties.
- Published
- 2024
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