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Solvothermal synthesis of nanocrystalline FeS_2

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Science China(Physics,Mechanics & Astronomy) 2005年第2期48卷 188-200页

作者： CHEN Yanhua1, ZHENG Yufeng1, ZHANG Xiaogang2. SUN Yanfei1 & DONG Youzhong11. Physics Department of xinjiang university, Urumqi 830046, China 2. institute of applied chemistry of xinjiang university, Urumqi 830046, China Physics Department of xinjiang university Urumqi 830046 China institute of applied {2. of xinjiang university Urumqi 830046 China

This paper reports on the synthesis of the nanocrystalline FeS2.via a solvent-thermal process. Using FeSO4 and NH2.SNH2.as precursors and polyvinyl- pyrrolidone (PVP) as a protective agent (dispersant), we have successfully synthesized nanocrystalline FeS2.both under acidic conditions (pH = 5) and under alkali conditions (pH = 10) at various temperatures and for different time in alcohol-water solution. X-ray diffraction (XRD), Transmission electron microscopy (TEM) and Ultraviolet Visible (UV-VIS) spectroscopy were used to characterize the morphology, structure, particle size and optical characterization of sample synthesized under acidic condition, and the XRD pattern was refined by Rietveld method. The experimental result shows that nanocrystalline FeS2.with uniform size, highly crystallized quality and excellent dispersivity has been synthesized at 2.0℃for 36 h.

关键词： FeS2 (Pyrite), solvothermal, PVP, the Rietveld method.

Potential energy surfaces for low-lying electronic states of SO_2

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Science China chemistry 2006年第4期49卷 289-295页

作者： LI Anyang1, SUO Bing2. WEN Zhenyi2.& WANG Yubin2.1. Shanxi Key Laboratory of Physico-inorganic chemistry, Department of chemistry, Northwest {2., Xi’an 710069, China 2. institute of Modern Physics, Northwest {2., Xi’an 710069, China 1. Shanxi Key Laboratory of Physico-inorganic chemistry Department of Chemistry Northwest University Xi’an 710069 China 2. institute of Modern Physics Northwest University Xi’an 710069 China

The potential energy surfaces for the nine low-lying electronic states of SO2.have been constructed by using the multi-reference second order perturbation theory (MRPT2. with the basis set cc-pVTZ. The optimized geometries and the adiabatic excitation energies of these states are in good agreement with experiments and previous calculations. The crossings and avoided crossings dis- played in the potential energy surfaces are expounded.

关键词： cross of PES, MRPT2. SO2 (sulfur dioxide).

The tri-band high spectral resolution spectrometer with gratings in tandem for the charge-exchange recombination spectroscopy diagnostic system on HL-2. tokamak

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Plasma Science and Technology 2024年第6期26卷 103-110页

作者：刘亮余德良马倩何小斐 Maarten DE BOCK Manfred von HELLERMANN Michael WALSH 陈文锦何小雪魏彦玲张能李栋魏会领 the HL-2. Team Southwestern institute of Physics Chengdu 610041People’s Republic of China College of Physics and Optoelectronic Technology Baoji University of Arts and SciencesBaoji 721000People’s Republic of China ITER Organization Route de Vinon-sur-VerdonCS 90046St.Paul Lez Durance Cedex 13067France Fusion Spectroscopy Markgraf-Albrecht Str.14Berlin 10711Germany

Charge-exchange(CX) recombination spectroscopy is a powerful tool monitoring ion temperature and plasma rotation with good temporal and spatial resolutions. A compact, new design for a high-throughput, tri-band high spectral resolution spectrometer has been developed for the charge-exchange recombination spectroscopy measurement on the HL-2. tokamak. The simultaneous measurements of He II(468.57 nm), C VI(52..1 nm), and Dα(656.1 nm accompanied by beam emission spectra) with an acquisition frequency up to 400 Hz are achieved by vertically binning the spectrum from each fiber in experiments. Initial results indicate that the system can provide radial profiles of not only ion temperature and rotation velocity,but also concentration of carbon. For the case of helium, the measurements for the ion temperature and rotation velocity are straightforward but the apparent concentration associated with the observed CX intensity is obviously too high. Modeling of the active He II CX feature including plume contributions needs to be carried out to extract the true helium *** spectrometer could become a prototype for the ITER charge-exchange recombination spectroscopy diagnostic and the pilot experiments, as presented here, demonstrate the possibility of impurity concentrations measurements based on the combined measurement of local beam emission and charge-exchange recombination spectroscopy spectra.

关键词： CXRS ion temperature plasma rotation impurity concentration

Synthesis,characterization,properties and crystal structure of heterometallic 1D coordination polymers {[CuLZn·CuLZn(H_2.)]·H_2.}_n

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Science China chemistry 2006年第4期49卷 338-344页

作者： TAO Ruojie1, LI Fu’an1, ZANG Shuangquan1, CHENG Yanxiang2.& NIU Jingyang1 1. chemistry and Chemical Engineering College of Henan university, Kaifeng 475001, China 2. Changchun {2. of applied chemistry, Chinese Academy of Sciences, Changchun 13002., China 1. chemistry and Chemical Engineering College of Henan university Kaifeng 475001 China 2. Changchun institute of applied {2. Chinese Academy of Sciences Changchun 130022 China

Copper-zinc heterometallic 1D chain coordination polymer has been synthesized and characterized by elemental analysis, and IR spectra etc. The crystal structure was determined by single-crystal X-ray diffraction analyses. The title complex is 1D chain coordination polymer with the chemical formula {[CuLZn·CuLZn(H2.)]·H2.}n, where H4L=N-(2.hydroxybenzamido)-N’-(3-carboxy- lsalicylidene)ethylenediamine. Its structural unit is comprosed of two tetranuclear cycles formed by two dissymmetrical tetranuclear units. These units polymerized each other to form 1D chain coordi- nation polymer.

关键词： copper, zinc, heterometallic coordination polymer, crystal structure.

FeS_(2. (pyrite) electrodeposition thin films and study of growth mechanism

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Science China(Technological Sciences) 2005年第6期48卷 601-611页

作者： DONG Youzhong1, ZHENG Yufeng1, ZHANG Xiaogang2. DUAN He1, SUN Yanfei1 & CHEN Yanhua1 1. Department of Physics, xinjiang university, Urumqi 830046, China 2. institute of applied chemistry, xinjiang university, Urumqi 830046, China 1. Department of Physics Xinjiang University 830046 Urumqi China 2. institute of applied chemistry Xinjiang University 830046 Urumqi China

Ferrous sulfide (FeS) thin films were initially electrodeposited on indium-tin oxide (ITO) substrates in the aqueous solution containing iron, sulfur elements and then annealed in the sulfur atmosphere. Thereby, we successfully obtained the single-phased iron pyrite (FeS2. thin films with good quality. The experimental parameters for electrodeposition and the post-growth thermal-dynamical conditions have been calculated so that more details about the effect of thermal-dynamical conditions on the micromechanism concerned with the iron pyrite crystal growth as well as the properties of the samples have been discussed.

关键词： electrodeposition, FeS2 (pyrite), thin films, growth dynamics.

Synthesis and crystal structure of complex of Ce(NO_3)_3 with N-(3-methyl-pyridin-2.yl)-formimidoyl-(3-methyl-pyridin-2.yl) hydrazone

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Science China chemistry 2004年第3期47卷 251-256页

作者： JIANG Yinzhi1,2.& HU Weixiao1 1. Department of Pharmaceutical Science, Zhejiang university of Technology, Hangzhou 310032. China 2. Department of applied {2., Zhejiang institute of Science and Technology, Hangzhou 310033, China 1. Department of Pharmaceutical Science Zhejiang University of Technology 310032 Hangzhou China 2. Department of applied chemistry Zhejiang Institute of Science and Technology 310033 Hangzhou China

The reaction of 3,6-di-(3-methyl-pyridin-2.yI)-s-tetrazine (DMPTZ, II) with CeIII salt [Ce(NO3)3 · 6H2.] generates a new ligand, N-(3-methyl-pyridin-2.yl)-formimidoyl-(3-methyl-pyridin-2.yl) hydrazone (L), and forms a new complex: a mononuclear complex [Ce(L)(NO3)2.(H2.)3] · NO3 (III). Crystal data for III: space group P-1, with a = 0.7133(4) nm, b = 1.1139(2. nm, c = 1.4572.3) nm, α= 102.13(2.°, β= 99.81(3)°, γ= 91.10(3)°, Z = 2. V = 1113.6(7) nm3, μ = 2.12. mm?1 and F(000) = 630. L acts as a tri-dentate chelating ligand in III. There are 10 coordination sites around Ce3+ of III, which are respectively occupied by seven oxygen atoms (four from two nitrate anions and three from three H2. molecules) and three nitrogen atoms (all from L). The cerium atom and three chelating nitrogen atoms are coplanar. The mechanism of the metal assisted decomposition is discussed briefly.

关键词： rare earth, complex, crystal structure, synthesize, 3,6-bis (3-methyl-pyridin-2.yl)-s-tetrazine, N-(3-methyl-pyridin- 2.yl)-formimidoyl-(3-methyl-pyridin-2.yl) hydrazone.

A complex variable meshless method for fracture problems

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Science China(Physics,Mechanics & Astronomy) 2006年第1期49卷 46-59页

作者： CHENG Yumin1 & LI Jiuhong2.1. Shanghai institute of applied Mathematics and Mechanics, Shanghai {2., Shanghai 2.0072. China 2. Department of Building Engineering, Xi’an {2. of Technology, Xi’an 710048, China Shanghai institute of applied Mathematics Mechanics Shanghai University Shanghai 200072 China Department of Building Engineering Xi’an University of Technology Xi’an 710048 China

Based on the moving least-square (MLS) approximation, the complex variable moving least-square approximation (CVMLS) is discussed in this paper. The complex variable moving least-square approximation cannot form ill-conditioned equations, and has greater precision and computational efficiency. Using the analytical solution near the tip of a crack, the trial functions in the complex variable moving least-square approxi- mation are extended, and the corresponding approximation function is obtained. And from the minimum potential energy principle, a complex variable meshless method for fracture problems is presented, and the formulae of the complex variable meshless method are obtained. The complex variable meshless method in this paper has greater precision and computational efficiency than the conventional meshless method. Some examples are given.

关键词： moving least-square approximation, complex variable moving least-square approximation, meshless method, complex variable meshless method, fracture.

Boundary element-free method for elastodynamics

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Science China(Physics,Mechanics & Astronomy) 2005年第6期48卷 641-657页

作者： CHENG Yumin1 & PENG Miaojuan2.1. Shanghai institute of applied Mathematics and Mechanics, Shanghai {2., Shanghai 2.0072. China 2. Department of Civil Engineering, Shanghai {2., Shanghai 2.0072. China 1. Shanghai institute of applied Mathematics and Mechanics Shanghai University 200072 Shanghai China 2. Department of Civil Engineering Shanghai University 200072 Shanghai China

The moving least-square approximation is discussed first. Sometimes the method can form an ill-conditioned equation system, and thus the solution cannot be obtained correctly. A Hilbert space is presented on which an orthogonal function system mixed a weight function is defined. Next the improved moving least-square approximation is discussed in detail. The improved method has higher computational efficiency and precision than the old method, and cannot form an ill-conditioned equation system. A boundary element-free method (BEFM) for elastodynamics problems is presented by combining the boundary integral equation method for elastodynamics and the improved moving least-square approximation. The boundary element-free method is a meshless method of boundary integral equation and is a direct numerical method compared with others, in which the basic unknowns are the real solutions of the nodal variables and the boundary conditions can be applied easily. The boundary element-free method has a higher computational efficiency and precision. In addition, the numerical procedure of the boundary element-free method for elastodynamics problems is presented in this paper. Finally, some numerical examples are given.

关键词： moving least-square approximation, improved moving least-square approximation, elastodynamics, boundary integral equation, meshless method, boundary element-free method, Fourier eigen transform.

Existence of the solutions and the attractors for the large-scale atmospheric equations

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Science China Earth Sciences 2006年第6期49卷 650-660页

作者： HUANG Haiyang1 & GUO Boling2.1. Department of Mathematics, Beijing Normal university, Beijing 100875, China 2. institute of {2. Physics and Computational Mathematics, Beijing 100080, China 1. Department of Mathematics Beijing Normal University Beijing 100875 China 2. institute of applied Physics and Computational Mathematics Beijing 100080 China

In this paper, firstly, the proper function space is chosen, and the proper expression of the operators is introduced such that the complex large-scale atmospheric motion equations can be described by a simple and abstract equation, by which the definition of the weak solution of the atmospheric equations is made. Secondly, the existence of the weak solution for the atmospheric equations and the steady state equations is proved by using the Galerkin method. The existence of the non-empty global attractors for the atmospheric equations in the sense of the Chepyzhov-Vishik’s definition is obtained by constructing a trajectory attractor set of the atmospheric motion equations. The result obtained here is the foundation for studying the topological structure and the dynamical behavior of the atmosphere attractors. Moreover, the methods used here are also valid for studying the other atmospheric motion models.

关键词： atmosphere equations, weak solution, trajectory attractor, global attractor, equilibrium.