Theoretical insights into the possible applications of amidoxime-based adsorbents in neptunium and plutonium separation
文献类型：期刊论文
| 作者 | Chen, Yan-Mei; Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Chai, Zhi-Fang; Shi, Wei-Qun |
| 刊名 | DALTON TRANSACTIONS
 |
| 出版日期 | 2021 |
| 卷号 | 50期号:43页码:15576-15584 |
| 关键词 | DENSITY-FUNCTIONAL THEORY URANIUM EXTRACTION M(CO)(6) M=CR SEQUESTERING URANIUM MOLECULAR-ENERGIES METHACRYLIC-ACID URANYL-ION SEAWATER RECOVERY CARBOXYL |
| 英文摘要 | Efficient separation of neptunium and plutonium from spent nuclear fuel is essential for advanced nuclear fuel cycles. At present, the development of effective actinide separation ligands has become a top priority. As common adsorbents for extracting uranium from seawater, amidoxime-based adsorbents may also be able to separate actinides from high-level liquid waste (HLLW). In this work, the complexation of Np(iv,v,vi) and Pu(iv) and alkyl chains (R = C13H26) modified with amidoximate (AO(-)) and carboxyl (Ac-) functional groups was systematically studied by quantum chemical calculations. For all the studied complexing species, the RAc- and RAO(-) ligands act as monodentate or bidentate ligands. Complexes with AO(-) groups show higher covalency of the metal-ligand bonding than the analogues with Ac- groups, in line with the binding energy analysis. Bonding analysis verifies that these amidoxime/carboxyl-based adsorbents possess higher coordination affinity toward Pu(iv) than toward Np(iv), and the Np(vi) complexes have stronger covalent interactions than Np(v). According to thermodynamic analysis, these adsorbents have the ability to separate Np(iv,v,vi) and Pu(iv), and also exhibit potential performance for partitioning Pu(iv) from Np(iv) under acidic conditions. This work can help to deeply understand the interaction between transuranium elements and amidoxime-based adsorbents, and provide a theoretical basis for the separation of actinides with amidoxime-based adsorbents. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/21416]  |
| 专题 | 2021专题_期刊论文 |
| 作者单位 | 1.Wang, CZ 2.Shi, WQ (corresponding author), Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Chen, Yan-Mei,Wang, Cong-Zhi,Wu, Qun-Yan,et al. Theoretical insights into the possible applications of amidoxime-based adsorbents in neptunium and plutonium separation[J]. DALTON TRANSACTIONS,2021,50(43):15576-15584. |
| APA | Chen, Yan-Mei,Wang, Cong-Zhi,Wu, Qun-Yan,Lan, Jian-Hui,Chai, Zhi-Fang,&Shi, Wei-Qun.(2021).Theoretical insights into the possible applications of amidoxime-based adsorbents in neptunium and plutonium separation.DALTON TRANSACTIONS,50(43),15576-15584. |
| MLA | Chen, Yan-Mei,et al."Theoretical insights into the possible applications of amidoxime-based adsorbents in neptunium and plutonium separation".DALTON TRANSACTIONS 50.43(2021):15576-15584. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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