Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137
Kuo, EY; Qin, MJ; Thorogood, GJ; Huai, P; Ren, CL; Lumpkin, GR; Middleburgh, SC
2017
发表期刊MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
ISSN0965-0393
卷号25期号:2页码:-
文章类型期刊论文
摘要The stability of a series of ABO(4) minerals incorporating radioactive Tc-99 during the latter's beta-decay to Ru-99 was investigated theoretically using density functional theory (DFT) computations. The compounds investigated were KTcO4, RbTcO4 and CsTcO4. The stability of the latter, CsTcO4, during transmutation, when the caesium consists of the radioactive isotope Cs-137, was also investigated. For each of the compounds, two similar possible crystal structure types-scheelite and pseudoscheelite-were considered. As the Tc-99 decays, or the Cs-137 decays to Ba-137, reaction enthalpies were calculated for possible decompositions or precipitations of the transmuting compounds. All the possible decompositions or precipitations investigated had positive reaction enthalpies, suggesting that the transmuting compounds are all chemically stable. Volume and lattice parameter changes, however, suggest that KTcO4 would also be structurally stable during transmutation to KRuO4, but that CsTcO4 would not be structurally stable during its transmutation to BaRuO4.
关键词Abo(4) Minerals Transmutation Technetium Caesium Density Functional Theory
DOI10.1088/1361-651X/aa5402
收录类别SCI
语种英语
WOS记录号WOS:000393962700001
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被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/27488
专题中科院上海应用物理研究所2011-2018年
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Kuo, EY,Qin, MJ,Thorogood, GJ,et al. Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137[J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,2017,25(2):-.
APA Kuo, EY.,Qin, MJ.,Thorogood, GJ.,Huai, P.,Ren, CL.,...&Middleburgh, SC.(2017).Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137.MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,25(2),-.
MLA Kuo, EY,et al."Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137".MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 25.2(2017):-.
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