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Recent advances in computational modeling and simulations on the An(III)/Ln(III) separation process
Lan JH(蓝建慧); Shi WQ(石伟群); Yuan LY(袁立永); Lan, JH; Shi, WQ; Yuan, LY; Li, J; Zhao, YL; Chai, ZF; Zhao YL(赵宇亮); Chai ZF(柴之芳)
刊名COORDINATION CHEMISTRY REVIEWS
2012
卷号256期号:13-14页码:1406-1417
关键词Actinide Lanthanide Separation Ligand design Multiscale simulation Spent fuel reprocessing
学科分类Chemistry
DOI10.1016/j.ccr.2012.04.002
英文摘要The selective extraction of minor actinides(III) from the lanthanides(III) is a key step for spent fuel reprocessing. Theoretical calculations of geometries, electronic structures, coordination complexion, and thermodynamic properties of the actinides are essential for understanding the separation mechanisms and relevant reactions. This article presents a critical review of theoretical studies on actinide systems involved in the An(III)/Ln(III) separation process. We summarize various theoretical methods for electronic and molecular scale modeling and simulations of actinide coordination systems. The complexing mechanisms between metal cations and organic ligands and the strategies for the design of novel ligands for separation are discussed as well. (C) 2012 Elsevier B.V. All rights reserved.
收录类别SCI
WOS记录号WOS:000305037200004
引用统计
被引频次:57[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/224135
专题院士_期刊论文
中国科学院高能物理研究所_多学科研究中心
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GB/T 7714
Lan JH,Shi WQ,Yuan LY,et al. Recent advances in computational modeling and simulations on the An(III)/Ln(III) separation process[J]. COORDINATION CHEMISTRY REVIEWS,2012,256(13-14):1406-1417.
APA 蓝建慧.,石伟群.,袁立永.,Lan, JH.,Shi, WQ.,...&柴之芳.(2012).Recent advances in computational modeling and simulations on the An(III)/Ln(III) separation process.COORDINATION CHEMISTRY REVIEWS,256(13-14),1406-1417.
MLA 蓝建慧,et al."Recent advances in computational modeling and simulations on the An(III)/Ln(III) separation process".COORDINATION CHEMISTRY REVIEWS 256.13-14(2012):1406-1417.
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