Abstract
In this study, the protective gas Ar of lead bismuth eutectic (LBE) operating environment and the substances such as Po、Pb、Bi、Po 2 、Bi 2 、PbPo produced during LBE operation were divided into three-atom group (Po 2 -Po、Po 2 -Pb、Po 2 -Bi、Bi 2 -Po、Bi 2 -Pb、Bi 2 -Bi、PbPo-Po、PbPo-Pb、PbPo-Bi) and four-atom group (Po 2 -Po 2 、Po 2 -Bi 2 、Po 2 -PbPo、Bi 2 -Bi 2 、Bi 2 -PbPo、PbPo-PbPo). The intermolecular interaction potential of each component was calculated respectively, and the Lennard-Jones (L-J) parameters of each component were obtained according to the relevant formula. Based on these L-J parameters, the transport properties such as binary diffusion coefficient, viscosity coefficient and thermal conductivity at high temperature were calculated. The results show that the well depth of each component of the three-atom group is much greater than that of the four-atom group, which results in the binary diffusion coefficient of each component of the three-atom group is much smaller than that of the four-atom group. In addition, it was found that the viscosity coefficient and thermal conductivity of the same substance seemed to have a fixed ratio, so we calculated the Prandtl number of Po 2 and Bi 2 , and compared them with the Prandtl number of substances such as air, water and argon, and found that the thermal conductivity of Po 2 and Bi 2 was better than that of water and argon, but slightly lower than that of air. Finally, we calculate the rate constant of reaction PbPo+Po→Po 2 +Pb in the temperature range of 400 K~2000 K at standard pressure(1.0 bar).
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Calculation of transport properties of Polonium in Lead Bismuth Eutectic at high temperature | Authorea try { document.documentElement.classList.add('js'); } catch (e) { } var _gaq = _gaq || []; _gaq.push(['_setAccount', 'G-8VDV14Y67G']); _gaq.push(['_trackPageview']); (function() { var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; ga.src = ('https:' == document.location.protocol ? 'https://ssl' : 'http://www') + '.google-analytics.com/ga.js'; var s = document.getElementsByTagName('script')[0]; s.parentNode.insertBefore(ga, s); })(); Skip to main content Preprints Collections Wiley Open Research IET Open Research Ecological Society of Japan All Collections About About Authorea FAQs Contact Us Quick Search anywhere Search for preprint articles, keywords, etc. Search Search ADVANCED SEARCH SCROLL International Journal of Quantum Chemistry This is a preprint and has not been peer reviewed. Data may be preliminary. 7 May 2025 V1 Latest version Share on Calculation of transport properties of Polonium in Lead Bismuth Eutectic at high temperature Authors : Jisen Wu 0009-0007-4171-0331 , Shangzhou Liu , Wenli Zhou , and Jianyi Ma [email protected] Authors Info & Affiliations https://doi.org/10.22541/au.174663564.46971815/v1 Published International Journal of Quantum Chemistry Version of record Peer review timeline 247 views 145 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract In this study, the protective gas Ar of lead bismuth eutectic (LBE) operating environment and the substances such as Po、Pb、Bi、Po 2 、Bi 2 、PbPo produced during LBE operation were divided into three-atom group (Po 2 -Po、Po 2 -Pb、Po 2 -Bi、Bi 2 -Po、Bi 2 -Pb、Bi 2 -Bi、PbPo-Po、PbPo-Pb、PbPo-Bi) and four-atom group (Po 2 -Po 2 、Po 2 -Bi 2 、Po 2 -PbPo、Bi 2 -Bi 2 、Bi 2 -PbPo、PbPo-PbPo). The intermolecular interaction potential of each component was calculated respectively, and the Lennard-Jones (L-J) parameters of each component were obtained according to the relevant formula. Based on these L-J parameters, the transport properties such as binary diffusion coefficient, viscosity coefficient and thermal conductivity at high temperature were calculated. The results show that the well depth of each component of the three-atom group is much greater than that of the four-atom group, which results in the binary diffusion coefficient of each component of the three-atom group is much smaller than that of the four-atom group. In addition, it was found that the viscosity coefficient and thermal conductivity of the same substance seemed to have a fixed ratio, so we calculated the Prandtl number of Po 2 and Bi 2 , and compared them with the Prandtl number of substances such as air, water and argon, and found that the thermal conductivity of Po 2 and Bi 2 was better than that of water and argon, but slightly lower than that of air. Finally, we calculate the rate constant of reaction PbPo+Po→Po 2 +Pb in the temperature range of 400 K~2000 K at standard pressure(1.0 bar). Supplementary Material File (main document.docx) Download 23.06 MB Information & Authors Information Version history V1 Version 1 07 May 2025 Peer review timeline Published International Journal of Quantum Chemistry Version of Record 2 Mar 2026 Published Copyright This work is licensed under a Non Exclusive No Reuse License. Collection International Journal of Quantum Chemistry Keywords binary diffusion coefficient lead bismuth eutectic lennard-jones parameters rate constant Authors Affiliations Jisen Wu 0009-0007-4171-0331 Sichuan University Institute of Atomic and Molecular Physics View all articles by this author Shangzhou Liu Xinjiang University School of Chemical Engineering View all articles by this author Wenli Zhou Sichuan University Institute of Atomic and Molecular Physics View all articles by this author Jianyi Ma [email protected] Sichuan University Institute of Atomic and Molecular Physics View all articles by this author Metrics & Citations Metrics Article Usage 247 views 145 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation Jisen Wu, Shangzhou Liu, Wenli Zhou, et al. Calculation of transport properties of Polonium in Lead Bismuth Eutectic at high temperature. Authorea . 07 May 2025. 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