作者机构:
[柯国军; 张琳; 赵海东; 谭弘俊] School of Civil Engineering, University of South China, Hengyang, Hunan, 421001, China;[阳鹏飞] School of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan, 421001, China
作者机构:
[陶玉强] School of Chemistry and Chemical Engineering, University of South China, Hengyang, 421001, China;[陶玉强; 白书欣; 阳世清; 李顺] College of Aerospace Science and Engineering, National University of Defense Technology, Changsha, 410073, China
通讯机构:
School of Chemistry and Chemical Engineering, University of South China, Hengyang, China
关键词:
反应结构材料;热反应;制备技术;铝热剂;金属间化合物型复合材料
摘要:
简单介绍反应结构材料(Reactive material structures,RMS)的概念、种类、应用、能量特性、力学性能要求以及应用时存在的主要困难,概述近些年来国内外研究者对RMS开展的研究工作,重点介绍了RMS的常用制备技术及其结构设计方面的研究状况。通过分析材料制备技术的特点、致密化原理和强化机制,并结合RMS的反应特性,对比分析了各种RMS制备技术的优缺点,指出它们的适用范围和应用前景,为RMS制备技术选择提供参考。指出组元多元化、新材料体系开发、强化机制研究、低温致密化和可控塑性变形强化技术开发、大型复杂样件制备技术开发、组织结构和复合方式优化是RMS及其制备技术的主要发展趋势。
作者机构:
[谢睿; 余丽梅; 蒲移秋; 彭国文] School of Chemistry and Chemical Engineering, University of South China, Hengyang, 421001, China;[肖方竹; 彭国文; 刘永] Hunan Province Engineering Technology Research Center of Uranium Tailings Treatment, University of South China, Hengyang, 421001, China;[肖方竹; 彭国文] Key Discipline Laboratory for National Defence for Biotechnology in Uranium Mining and Hydrometallurgy, University of South China, Hengyang, 421001, China
作者机构:
[肖方竹; 何淑雅; 唐艳] Support Discipline Laboratory of National Defence for Biochemistry and Molecular biology, University of South China, Hengyang, 421001, China;[戴益民] The Key Laboratory of Powder and Transport Materials Protection in Hunan Province, College of Chemistry and Chemical Engineering, Changsha University of Science &, Technology, Changsha, 410004, China;[彭国文] School of Resources and Safety Engineering, Central South University, Changsha, 410083, China;[彭国文] School of Chemistry and Chemical Engineering, University of South China, Hengyang, 421001, China
通讯机构:
School of Chemistry and Chemical Engineering, University of South China, Hengyang, China
作者机构:
[Luo, Juan; Nie, Changming] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Lan, Jianhui; Wang, Congzhi; Chai, Zhifang; Zhao, Yuliang; Shi, Weiqun; Wu, Qunyan; Luo, Juan] Chinese Acad Sci, Lab Nucl Energy Chem, Inst High Energy Phys, Beijing 100049, Peoples R China.;[Lan, Jianhui; Wang, Congzhi; Chai, Zhifang; Zhao, Yuliang; Shi, Weiqun; Wu, Qunyan; Luo, Juan] Chinese Acad Sci, Key Lab Biomed Effects Nanomat & Nanosafety, Inst High Energy Phys, Beijing 100049, Peoples R China.;[Chai, Zhifang] Soochow Univ, Sch Radiol & Interdisciplinary Sci RAD X, Suzhou 215123, Peoples R China.;[Chai, Zhifang] Soochow Univ, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.
通讯机构:
[Nie, Changming] U;[Shi, Weiqun] C;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;Chinese Acad Sci, Lab Nucl Energy Chem, Inst High Energy Phys, Beijing 100049, Peoples R China.;Chinese Acad Sci, Key Lab Biomed Effects Nanomat & Nanosafety, Inst High Energy Phys, Beijing 100049, Peoples R China.
关键词:
density functional theory;di-(2-ethylhexyl) phosphoric acid;actinide;lanthanide;solvent extraction
摘要:
Separation of trivalent lanthanides (Ln(III)) and actinides (An(III)) is a key issue in the advanced spent nuclear fuel reprocessing. In the well-known trivalent actinide lanthanide separation by phosphorus reagent extraction from aqueous komplexes (TALSPEAK) process, the organophosphorus ligand HDEHP (di-(2-ethylhexyl) phosphoric acid) has been used as an efficient reagent for the partitioning of Ln(III) from An(III) with the combination of a holdback reagent in aqueous lactate buffer solution. In this work, the structural and electronic properties of Eu~(3+) and Am~(3+) complexes with HDEHP in nitric acid solution have been systematically explored by using scalar-relativistic density functional theory (DFT). It was found that HDEHP can coordinate with M(III) (M=Eu, Am) cations in the form of hydrogen-bonded dimers HL_2~- (L=DEHP), and the metal ions prefer to coordinate with the phosphoryl oxygen atom of the ligand. For all the extraction complexes, the metal-ligand bonds are mainly ionic in nature. Although Eu(III) complexes have higher interaction energies, the HL_2~- dimer shows comparable affinity for Eu(III) and Am(III) according to thermodynamic analysis, which may be attributed to the higher stabilities of Eu(III) nonahydrate. It is expected that this work could provide insightful information on the complexation of An(III) and Ln(III) with HDEHP at the molecular level.
摘要:
Functionalized magnetic Fe_3O_4@SiO_2 composite nanoparticles were prepared by simply embedding iron oxide nanoparticles into MCM-41 through one-step synthesis process, followed by aminopropyls grafting on the mesopore channels, aiming to efficiently and conveniently uptake U(VI) from aqueous solution. The resultant material possesses highly ordered mesoporous structure with large surface area, uniform pore size, excellent thermal stability, quick magnetic response, and desirable acids resistance, confirmed by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), N_2 adsorption/ desorption experiments, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). Detailed U(VI) sorption test indicated that this material is indeed an effective U(VI) sorbent with fast sorption kinetics of less than 2 h, large sorption capacity of 160 mg/g at pH 5.0±0.1, and desirable selectivity towards U(VI) ions over a range of competing metal ions. The absorbed U(VI) can be easily desorbed by 0.01 mol/L or more concentrated HNO3 solution, and the reclaimed sorbent can be reused with no obvious decrease of sorption capacity even after 4 sorption-desorption cycles. The present results suggest the vast opportunities of this kind of magnetic composite on the solid-phase extraction of U(VI).
作者机构:
[李广] School of Chemistry and Chemical Engineering, University of South China, Hengyang, 421001, China;[谢珍妮; 袁小兰; 李瑞瑞; 夏良树] School of Nuclear Science and Technology, University of South China, Hengyang, 421001, China
通讯机构:
School of Nuclear Science and Technology, University of South China, Hengyang, China
通讯机构:
[Nie, Chang-Ming] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词:
Density functional theory;N;N'-bis(3-allyl salicylidene)-o-phenylenediamine;Uranium
摘要:
We used density functional theory calculations at the B3LYP/6-311G** level for a theoretical study on the complex formed when uranium(IV) coordinates with N, N'-bis(3-allyl salicylidene)-o-phenylenediamine (BASPDA), i.e., U(BASPDA)_2. The results indicated that the coordination complex of U(BASPDA)_2 could form two different structures with a ratio of 1:2. One was a parallel dislocation structure (PDS-U), in which the two BASPDAs' middle benzene rings adopted a parallel dislocation with an angle of 56.64°, and the other was a staggered finger ‘‘+'' structure (SFS-U), in which the two BASPDAs employed the staggered finger ‘‘+'' shape. The binding energies, charge distribution, spectral properties, thermodynamic properties, molecular orbitals and Wiberg bond indices for both PDS-U and SFS-U were calculated and compared with each other.