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Characteristic atom arranging crystallogphy of alloy phases for Au-Cu system

Science china(Technological Sciences) 2011年第6期54卷 1560-1567页

作者： XIE YouQing1,2,3,LIU XinBi1,2,3,PENG HongJian4,NIE YaoZhuang5,LI XiaoBo6 & LI YanFen1,2,3 1 school of Materials Science and engineering,central south university,changsha 410083,china 2 Powder Metallurgy Research Institute,central south university,changsha 410083 china 3 State Key Laboratory of Powder Metallurgy,central south university,changsha 410083,china 4 school of chemistry and chemical engineering,central south university,changsha 410083,china 5 school of Physical Science and Technique,central south university,changsha,410083,china 6 College of Mechanical engineering,Xiangtan university,Xiangtan 411105,china school of Materials Science and engineering Central South University Changsha China Powder Metallurgy Research Institute Central South University Changsha China State Key Laboratory of Powder Metallurgy Central South University Changsha China school of chemistry and chemical engineering Central South University Changsha China school of Physical Science and Technique Central South University Changsha China College of Mechanical engineering Xiangtan University Xiangtan China

In this paper,it is pointed out that the descriptions of alloy phase structures are dependent on structural unit *** the systematic science of alloys(SSA),the alloy phase structures are described by means of the symmetry element sequence combining with characteristic atom *** is named the characteristic atom arranging structure,which can display the characteristic atoms at the lattice sites and the micro-inhomogeneity,besides the *** characteristic atom has its own characters:neighboring configuration,potential energy,volume and electronic *** micro-inhomogeneity of alloy phases can be described by concentrations and short-range ordered parameters of characteristic *** differences between the electronic structures of alloy phases and electronic structures of characteristic atoms in the alloy phases are also discussed.

关键词： systematic science of alloys Au-Cu system alloy phase structure micro-inhomogeneity

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Boron rings containing planar octa- and enneacoordinate cobalt, iron and nickel metal elements

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Science china chemistry 2008年第7期51卷 607-613页

作者： LUO Qiong school of chemistry and chemical engineering, central south university, changsha 410083, china school of chemistry and chemical engineering Central South University Changsha China

For a series of boron rings with planar hyper-coordinate 8th group transition metal atoms, singlet 1FeB8-2, multiplet kFeB9n (n = -1, k = 1; n = 0, k = 2), singlet 1CoB8n(n = -1, +1, +3), multiplet kCoB9n (n = +1, k = 2; n = 0, k = 1) and singlet 1NiB9+, the geometry structures have been optimized to be local minima on corresponding potential hyper-surfaces. The electron structures are discussed by orbital analysis and the aromaticity is predicted by nucleus-independent chemical shifts calculation at both the B3LYP/6-311+G* and BP86/6-311+G* levels of theory, respectively. The results suggest that all these structures with high symmetry planar geometries are stable and have aromatic properties with six π valence electrons.

关键词： planar hyper-coordinate transition metal DFT

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Synthesis and purification of trialkyl compounds of gallium and indium

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Rare Metals 2002年第1期21卷 1-6页

作者： SHU Wangen, ZHOU Zhongcheng and LI Xiong chemistry and chemical engineering College, central south university, changsha 410083, china chemistry and chemistry engineering College Central South University Changsha 410083 chemistry and chemical engineering College Central South University Changsha 410083

The The research progress in trialkyl compounds of gallium andindium was discussed from two aspect, one was the chemical synthesisof the compounds and the other was the purification of them. Thereare three synthesis routes be- ing reported in the first aspect, *** route staring form pure metal, the route starting from the puremetal trihalides, and the electrochemical route. In the secondaspect, the purifying methods of decomposition-distillation and zonerefining were reviewed.

关键词： trialkyl compounds gallium nd indium synthesis purification

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Electrochemical characteristics of amorphous MgTi_xNi(x = 0,0.1,and 0.2) hydrogen storage alloys

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Rare Metals 2010年第5期29卷 486-490页

作者： LIU Suqin,ZHAO Wenjuan,HUANG Kelong,and HUANG Hongxia College of chemistry and chemical engineering,central south university,changsha 410083,china College of chemistry and chemical engineering Central South University Changsha China

MgTixNi （x = 0, 0.1, and 0.2） alloys were successfully prepared by mechanical alloying （MA）, and the influence of milling time on the electrochemical characteristics of the electrodes was discussed. MgTixNi alloys after 90 h milling displayed the best electrochemical performance The X-ray diffraction patterns showed that the alloy ball-milled for 90 h was amorphous with a widened diffraction peak. The charge-discharge tests indicated that these alloys had good electrochemical activation properties, and the MgTi0.2Ni alloy electrode exhibited the best cycle performance. The initial discharge capacity of the MgTi0.2Ni alloy reached up to 401.1 mAh·g^-1, and the retention rate of capacity was 31.0% after 30 cycles, much higher than that of MgNi （17.3%）. The Tafel polarization curves revealed that Ti addition could enhance the anticorrosion performance of these alloys in alkali solution, which was responsible for the ameliorated cyclic stability of these alloy electrodes.

关键词： hydrogen storage alloys titanium electrochemical properties mechanical alloying

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Preparation of 5N high purified indium by the method of chemical purification-electrolysis

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Rare Metals 2002年第2期21卷 137-141页

作者： ZENG Dongming, ZHOU Zhihua, SHU Wangen, LIU Younian, and HU AipingCollege of chemistry and chemical engineering, central south university, changsha 410083, china College of chemistry and chemical engineering Central South University Changsha 410083

The application of indium requires high purity indium as material.5N high purity indium had been prepared by the method of acombination of chemically smelting and electrolysis. Smelting timewas 10 min, the abstraction rate of cadmium was 80/100-90/100 whenused solution of I_2-KI and glycerine to smelt indium. 4N metalindium was used as anode, high purity indium as cathode, In-2(SO_4)_3-H_2SO_4 system as electrolyte, and In content is 100 g/L, pH2-3 and current density 80-100 a/m^2.

关键词： high-purify indium preparation chemical purifying

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Effects of Oxalic Acid Addition on the Hydrothermal Synthesis of Kaolinite

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Journal of central south university 2000年第1期12卷 34-36页

作者： LIU Su qin,HUANG Ke long (College of chemistry and chemical engineering, central south university of Technology, changsha 410083, china) College of chemistry and chemical engineering Central South University of Technology Changsha China

Kaolinite was hydrothermally synthesized from alumina gel and silicate by dissolving alumina gel in oxalic acid before it was mixed with silicate, effects of the amount of addition on the species of synthetic products were discussed. The reaction product was characterized by X ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that analcite is the only phase of the reaction solution without oxalic acid, the proportion of kaolinite in product increases with the amount of addition, and kaolinite is the main species when the molar ratio of oxalic acid to alumina reaches 0.6∶1.0. This is because oxalic acid addition is beneficial to the formation of kaolinite through changing the coordination number of aluminium from four to six, while the mixture of alumina gel, before it was dissolved in oxalic acid with silicate interfered with the crystallization of kaolinite.

关键词： kaolinite hydrothermal synthesis oxalic acid

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Preparation and electrochemical performance of spherical Fe_3O_4 as anode materials for Li-ion batteries

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Science china(Technological Sciences) 2009年第11期52卷 3219-3223页

作者： WANG FangBin, CHEN Jie, HUANG KeLong & LIU SuQin College of chemistry & chemical engineering, central south university, changsha 410083, china College of chemistry & chemical engineering Central South University Changsha China

Fe3O4 nano-powder was prepared by the hydrothermal method. The structure and morphology of the product were characterized by X-ray diffraction (XRD) and scanning electronic microscopy (SEM). The as-prepared powder has regularly spherical morphology, and the average size of product is about 25 nm. The possible application use of this material as the active mass of anode for rechargeable Li batteries was examined by cyclic voltammeter (CV), galvanostatic charge/*** experimental results showed that this material exhibited large specific capacity at the first cycle, and the discharge and charge capacity retention of this electrode are 37.04% and 48.76%, respectively. Furthermore, the impedance change of Fe3O4 electrode under different cycle number and potential was examined.

关键词： Fe3O4 lithium battery anode electrochemical performance

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Study on the Separation of Co^(2+) from Zn^(2+) , Cd^(2+) by Anion-exchange Chromatography

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Journal of central south university 2000年第2期12卷 88-91页

作者： WANG Xin yan,ZHOU Chun shan,WANG Yan (College of chemistry and chemical engineering, central south university of Technology, changsha 410083, china) College of chemistry and chemical engineering Central South University of Technology Changsha China

The separation of Co 2+ from Zn 2+ , Cd 2+ by anion exchange chromatography was discussed. The chromatographic column containing anion resin 201×7 which was saturated with a solution of ammonium chloride. The effects of the eluant acidity and eluant composition on the separation were investigated. The results indicate that this anion exchange chromatography is suitable to the separation of Co 2+ from Zn 2+ , Cd 2+ , and the condition of separation is simple and convenient. When the column is saturated with NH 4Cl solution (2.0 mol/L, pH=4.0), the separation can be completed effectively. Zn 2+ and Cd 2+ can also be separa ted when different eluants are used and the pure solution with high concentration of Zn 2+ , Cd 2+ respectively can be obtained ea sily.

关键词： anion exchange chromatography Zn 2+ Cd 2+ Co 2+ separation

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Prediction of Water Activities in Multicomponent Solutions of Metal Chlorides from the Thermodynamic Properties of Corresponding Binary Systems

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Journal of central south university 2000年第1期12卷 29-33页

作者： LI Yuan gao,ZHANG Quan ru,FANG Zheng(College of chemistry and chemical engineering, central south university of Technology, changsha 410083, china) College of chemistry and chemical engineering Central South University of Technology Changsha China

In order to calculate the activity coefficients of water in aqueous solution of metal electrolytes, a simplified model predicting them in ternary or multicomponent solutions with common anions from the activity data of water of the corresponding binary systems has been developed based on an assumption that the electrolytes in the solution are treated as independent particles instead of their ion forms, and the interaction of the salt( i ) salt( j ) pair in the solution is assumed to be much weaker than that of water salt pair due to the common anions of both of salts. The model was applied to the systems such as KCl H 2O NaCl, MCl H 2O M′Cl 2 (M represents Na and K, M′ represents Ca and Ba) and KCl H 2O NaCl BaCl 2 with satisfying results. The interchange energies of the studied component pairs between water and salts have also been determined by the corresponding binary aqueous solutions.

关键词： activity of water electrolyte thermodynamic model interchange energy

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Effect of aluminum-containing additives on the reactivity in air and CO_2 of carbon anode for aluminum electrolysis

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Rare Metals 2004年第2期23卷 109-114页

作者： LAI Yanqing LI Jie LI Qingyu DING Fengqi school of Metalling Science and engineering, central south university, changsha 410083, china school of Metallurgy Science and engineering Central South University Changsha 410083

Airburn reaction and carboxy reaction result in the excess consumption ofcarbon anode in aluminum electrolysis. To reduce the excess carbon consumption, carbon anode wasdoped with aluminum-containing additives, such as Al, Al_4C_3, AlF_3 and Al_2O_3. Their reactivityin air and CO_2 was determined with an isothermal-gravimetric method to study the effect ofaluminum-containing additives on the reactivity in air and CO_2 of carbon anode. Results shown thatthe airburn reactivity at 450℃ and carboxy reactivity at 970℃ of carbon anode both decreased withAl-containing additives adding, while shown a minimum with the amount of Al_4C_3, AlF_3 and Al_2O_3increasing. However, all Al-containing additives increase the airburn reactivity at 550℃ of carbonanodes. Coke yield measurement and XRD examination with aluminum containing additives doped pitchcokes revealed that the effect of Al-containing additives on the airburn reactivity and carboxyreactivity of carbon anode would result from chemical factors and structural factors.

关键词： aluminum electrolysis aluminum-containing additives reactivity carbonanode

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