{"title":"High-temperature NMR Investigation of the Structural Evolution and the Special Phase Transition in LiF-NaF-BeF2 Mixed Salt Melts","authors":"Jianchao Sun, Hailong Huang, Ling Han, Xiaobin Fu, Hong-Tao Liu, Yuan Qian","doi":"10.1039/d5cp00378d","DOIUrl":null,"url":null,"abstract":"Molten salt mixtures of LiF, NaF, and BeF2 are widely recognized as potential solvents and coolants in molten salt reactor applications. The structural effects of LiF addition to the ternary salt were investigated using HT-NMR and solid-state NMR techniques. A distinct phase transition was identified via HT-NMR during the melting process of LiF-NaF-BeF2 ternary salts. The results indicated that the addition of LiF facilitates the transition from a crystalline to an amorphous structure. The influence of Li+ and Na+ on the amorphous structure was analyzed, revealing that Li+ ions exhibit relatively strong interactions with Be-F oligomers. Furthermore, as temperature increases, the rapid dynamics weaken the interactions between Li+ ions and Be-F oligomers. This dynamic weakening results in the remarkable phase transformation of Be-F oligomers into polymeric chains and networks.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"30 1","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d5cp00378d","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Molten salt mixtures of LiF, NaF, and BeF2 are widely recognized as potential solvents and coolants in molten salt reactor applications. The structural effects of LiF addition to the ternary salt were investigated using HT-NMR and solid-state NMR techniques. A distinct phase transition was identified via HT-NMR during the melting process of LiF-NaF-BeF2 ternary salts. The results indicated that the addition of LiF facilitates the transition from a crystalline to an amorphous structure. The influence of Li+ and Na+ on the amorphous structure was analyzed, revealing that Li+ ions exhibit relatively strong interactions with Be-F oligomers. Furthermore, as temperature increases, the rapid dynamics weaken the interactions between Li+ ions and Be-F oligomers. This dynamic weakening results in the remarkable phase transformation of Be-F oligomers into polymeric chains and networks.
期刊介绍:
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.
The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.