CAS OpenIR  > 中科院上海应用物理研究所2011-2018年
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
Source PublicationMODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
ISSN0965-0393
Volume25Issue:2Pages:-
Subtype期刊论文
AbstractThe 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.
KeywordAbo(4) Minerals Transmutation Technetium Caesium Density Functional Theory
DOI10.1088/1361-651X/aa5402
Indexed BySCI
Language英语
WOS IDWOS:000393962700001
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/27488
Collection中科院上海应用物理研究所2011-2018年
Recommended Citation
GB/T 7714
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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