Recent advances in computational modeling and simulations on the An(III)/Ln(III) separation process
文献类型：期刊论文
| 作者 | 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)
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| 刊名 | COORDINATION CHEMISTRY REVIEWS
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| 出版日期 | 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 |
| 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. |
| 学科主题 | Chemistry |
| 收录类别 | SCI |
| WOS记录号 | WOS:000305037200004 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/224135]  |
| 专题 | 高能物理研究所_院士 高能物理研究所_多学科研究中心 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：高能物理研究所
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