Theoretical studies on the AnO2n+ (An = U, Np; N = 1, 2) complexes with di-(2-ethylhexyl)phosphoric acid

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成果类型：

期刊论文

作者：

Luo, Juan;Wang, Cong-Zhi;Lan, Jian-Hui;Wu, Qun-Yan;Zhao, Yu-Liang;...

通讯作者：

Shi, Wei-Qun

作者机构：

[Wu, Qun-Yan; Zhao, Yu-Liang; Luo, Juan; Chai, Zhi-Fang; Wang, Cong-Zhi; Lan, Jian-Hui; Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Key Lab Nucl Radiat & Nucl Energy Technol, Grp Nucl Energy Chem, Beijing 100049, Peoples R China.

[Wu, Qun-Yan; Zhao, Yu-Liang; Luo, Juan; Chai, Zhi-Fang; Wang, Cong-Zhi; Lan, Jian-Hui; Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China.

[Chai, Zhi-Fang] Soochow Univ, Sch Radiol & Interdisciplinary Sci RAD X, Suzhou 215123, Peoples R China.

[Chai, Zhi-Fang] Soochow Univ, Jiangsu Higher Educ Inst, Collaborat Innovat Ctr Radiat Med, Suzhou 215123, Peoples R China.

[Nie, Chang-Ming] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.

通讯机构：

[Shi, Wei-Qun] C

Chinese Acad Sci, Inst High Energy Phys, Key Lab Nucl Radiat & Nucl Energy Technol, Grp Nucl Energy Chem, Beijing 100049, Peoples R China.

语种：

英文

期刊：

DALTON TRANSACTIONS

ISSN：

1477-9226

年：

2015

卷：

期：

页码：

3227-3236

DOI：

10.1039/c4dt03321c

基金类别：

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [11275219, 21201166, 21477130, 21471153, 11275090]; Major Research Plan "Breeding and Transmutation of Nuclear Fuel in Advanced Nuclear Fission Energy System" of the Natural Science Foundation of China [91326202, 91126006]; "Strategic Priority Research Program" of the Chinese Academy of SciencesChinese Academy of Sciences [XDA030104]; State Key Laboratory of NBC Protection for Civilian [SKLNB2014-12]

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本校为其他机构

院系归属：

化学化工学院

摘要：

Actinide separation in spent nuclear fuel reprocessing is essential for the closed nuclear fuel cycle. Organophosphorus reagents have been found to exhibit strong affinities for actinides in experiments. In this work, the extraction complexes of AnO2n+ (An = U, Np; n = 1, 2) with the traditional organophosphorus ligand HDEHP (di-(2-ethylhexyl)phosphoric acid) have been investigated using density functional theory together with scalar-relativistic effective core potentials (ECPs) for actinide elements. According to our calculations, the HDEHP di...

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Theoretical studies on the AnO2n+ (An = U, Np; N = 1, 2) complexes with di-(2-ethylhexyl)phosphoric acid

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