Computational Study of the Physical Properties of a High Temperature Molten Salt Mixture of FLiNaK and CeF3
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
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Computational Study of the Physical Properties of a High Temperature Molten Salt Mixture of FLiNaK and CeF3
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| Автор |
Galashev, A.
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| Тематика |
DIFFUSION
IONS MOLECULAR DYNAMICS MOLTEN SALT FLINAK+CEF3 STRUCTURE VORONOI POLYHEDRA |
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| Описание |
In this work, we study the diffusion characteristics and structure of the molten salt FLiNaK with dissolved CeF3 in the operating temperature range of the molten-salt reactor. The temperature dependence of the self-diffusion coefficients of the ions that make up the salt mixture is represented with good accuracy as a linear dependence, except for the case of self-diffusion of Ce ions. As a rule, Li and F ions are more mobile than Na and K ions and significantly more so than slow Ce ions. The coordination numbers and their increase upon dissolution of CeF3 in FLiNaK were determined based on the calculation of partial radial distribution functions. The detailed structure of the melt is studied based on the construction of Voronoi polyhedra. The obtained topological characteristics indicate a predominantly tetrahedral type of distribution of Ce ions over the bulk of the system. Rotational symmetry of the 5th order prevails in the structure of the Li and F subsystems, and symmetries of the 3rd and 4th orders prevail in the Na and K subsystems, respectively. The simulation results can be used to search for actinide, which can be replaced by cerium in real experiments. © 2023 by the author.
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| Дата |
2024-04-05T16:34:17Z
2024-04-05T16:34:17Z 2023 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) |info:eu-repo/semantics/publishedVersion |
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| Идентификатор |
Galashev, A 2023, 'Computational Study of the Physical Properties of a High Temperature Molten Salt Mixture of FLiNaK and CeF3', Applied Sciences, Том. 13, № 2, 1085. https://doi.org/10.3390/app13021085
Galashev, A. (2023). Computational Study of the Physical Properties of a High Temperature Molten Salt Mixture of FLiNaK and CeF3. Applied Sciences, 13(2), [1085]. https://doi.org/10.3390/app13021085 2076-3417 Final All Open Access, Gold https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146656958&doi=10.3390%2fapp13021085&partnerID=40&md5=f7f879b1907e92c40a5ff2d33305f662 https://www.mdpi.com/2076-3417/13/2/1085/pdf?version=1673602731 http://elar.urfu.ru/handle/10995/130848 10.3390/app13021085 85146656958 000916670000001 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
cc-by https://creativecommons.org/licenses/by/4.0/ |
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| Формат |
application/pdf
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| Издатель |
MDPI
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| Источник |
Applied Sciences
Applied Sciences (Switzerland) |
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