{"title":"氚在熔融FLiBe中的基本行为研究","authors":"A. E. Galashev, A. F. Anisimov","doi":"10.1134/S0036024424703473","DOIUrl":null,"url":null,"abstract":"<p>The behavior of tritium in molten FLiBe, including in the presence of He, at LSR operating temperatures was investigated. It was established that the presence of helium in the fluoride melt does not significantly change the partial radial distribution function of tritium-fluorine. In the salt melt, there is a preferential binding of tritium with one or two fluorine ions, when the bond length between tritium and fluorine is limited by the radius of the first coordination sphere. It is shown that at a temperature of 1073 K tritium more often binds to one fluorine ion, but in the presence of He this advantage is not obvious and the change in tritium coordination is enhanced. Lower temperatures (<i>T</i> ≤ 973 K) promote <sup>3</sup>H binding with two fluorine ions, but the presence of He, which creates a temperature-increasing effect, can disrupt this trend. It was concluded that tritium very rarely forms bonds simultaneously with three fluorine ions. The form of tritium binding by fluorine influences the kinetic characteristics of tritium in molten FLiBe.</p>","PeriodicalId":767,"journal":{"name":"Russian Journal of Physical Chemistry A","volume":"99 3","pages":"438 - 445"},"PeriodicalIF":0.7000,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Basic Study of Tritium Behavior in Molten FLiBe\",\"authors\":\"A. E. Galashev, A. F. Anisimov\",\"doi\":\"10.1134/S0036024424703473\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The behavior of tritium in molten FLiBe, including in the presence of He, at LSR operating temperatures was investigated. It was established that the presence of helium in the fluoride melt does not significantly change the partial radial distribution function of tritium-fluorine. In the salt melt, there is a preferential binding of tritium with one or two fluorine ions, when the bond length between tritium and fluorine is limited by the radius of the first coordination sphere. It is shown that at a temperature of 1073 K tritium more often binds to one fluorine ion, but in the presence of He this advantage is not obvious and the change in tritium coordination is enhanced. Lower temperatures (<i>T</i> ≤ 973 K) promote <sup>3</sup>H binding with two fluorine ions, but the presence of He, which creates a temperature-increasing effect, can disrupt this trend. It was concluded that tritium very rarely forms bonds simultaneously with three fluorine ions. The form of tritium binding by fluorine influences the kinetic characteristics of tritium in molten FLiBe.</p>\",\"PeriodicalId\":767,\"journal\":{\"name\":\"Russian Journal of Physical Chemistry A\",\"volume\":\"99 3\",\"pages\":\"438 - 445\"},\"PeriodicalIF\":0.7000,\"publicationDate\":\"2025-04-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Russian Journal of Physical Chemistry A\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0036024424703473\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Physical Chemistry A","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0036024424703473","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
The behavior of tritium in molten FLiBe, including in the presence of He, at LSR operating temperatures was investigated. It was established that the presence of helium in the fluoride melt does not significantly change the partial radial distribution function of tritium-fluorine. In the salt melt, there is a preferential binding of tritium with one or two fluorine ions, when the bond length between tritium and fluorine is limited by the radius of the first coordination sphere. It is shown that at a temperature of 1073 K tritium more often binds to one fluorine ion, but in the presence of He this advantage is not obvious and the change in tritium coordination is enhanced. Lower temperatures (T ≤ 973 K) promote 3H binding with two fluorine ions, but the presence of He, which creates a temperature-increasing effect, can disrupt this trend. It was concluded that tritium very rarely forms bonds simultaneously with three fluorine ions. The form of tritium binding by fluorine influences the kinetic characteristics of tritium in molten FLiBe.
期刊介绍:
Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world.
Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.