Experimental and Theoretical Study of the Extraction of UO22+ by Malonamides in Ionic Liquids

doi:10.1021/acs.iecr.7b01742

	Experimental and Theoretical Study of the Extraction of UO22+ by Malonamides in Ionic Liquids
	H. Wang; Wang H(王会); Yang X(杨霞); X. Yang; Shen, Y.; Liu ZY(刘子义); Z. Liu; Wang DQ(王东琪); Chai ZF(柴之芳); D. Wang
刊名	INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
	2017
卷号	56 期号:44 页码:12708-12716
ISSN号	0888-5885
DOI	10.1021/acs.iecr.7b01742
文献子类	Article
英文摘要	Solvent extraction studies of UO22+ were carried out using N,N'-dimethyl-N,N'-dibutylmalonamide (DMDBMA), N,N,N',N'-tetrabutylmalonamide (TBMA), and N,N,N',N'-tetraoctylmalonamide (TOMA) dissolved in three room temperature ionic liquids (RTILs) of 1-alkyl-3-methylimidazolium bis(trifluoromethane)sulfonamide ([C(n)mim][Tf2N], n = 4,6,8). At lower acidity, the extraction of UO22+ carried out in RTIL was found to be much more efficient than in the conventional molecular diluents, while this advantage diminishes at higher acidity. The alkyl chain length of the RTILs plays an important role on the extraction performance. The effect of concentration of three diamides and nitric acid on extraction performance was also investigated. The extraction mechanism using RTILs as the diluent was deduced by the slope analysis and extraction experiment, and a cation-exchange mechanism at lower acidity and a neutral solvation mechanism at higher acidity were proposed. Density functional theory method was used to characterize the key species of the coordination complexes of UO22+ with the three malonamide (MA) ligands in terms of geometry, Mayer bond order (MBO), binding energy, interface exchange reaction, stepwise mechanism, and quantum theory of atom-in-molecule (QTAIM) topological analysis.
WOS关键词	NITRIC-ACID SOLUTION ; SOLVENT-EXTRACTION ; URANYL-ION ; METAL-IONS ; MECHANISM ; ACTINIDES ; PSEUDOPOTENTIALS ; PLUTONIUM(IV) ; COMPLEXATION ; LANTHANIDES
WOS研究方向	Engineering
语种	英语
WOS记录号	WOS:000415028300030
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/285357]
专题	高能物理研究所_多学科研究中心
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	H. Wang,Wang H,Yang X,et al. Experimental and Theoretical Study of the Extraction of UO22+ by Malonamides in Ionic Liquids[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2017,56(44):12708-12716.
APA	H. Wang.,王会.,杨霞.,X. Yang.,Shen, Y..,...&Z. Chai.(2017).Experimental and Theoretical Study of the Extraction of UO22+ by Malonamides in Ionic Liquids.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,56(44),12708-12716.
MLA	H. Wang,et al."Experimental and Theoretical Study of the Extraction of UO22+ by Malonamides in Ionic Liquids".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 56.44(2017):12708-12716.