Study on phase diagrams and properties of solutions in ternary systems Li+,K+(Mg2+)/SO42--H2O at 25℃

Solubilities of ternary systems Li+,K+/SO42--H2O (1) and Li+,Mg2+/SO42-H2O (2) were investigated by isothermal method at 25℃. Physico-chemical properties of solutions, such as density, refractive index, viscosity, conductivity and pH, were determined. Phase diagram of the system (1) consists of three solubility branches and three crystallization fields corresponding to K2SO4, Li2SO4.H2O and LiKSO4. LiKSO4 is an incongruent compound, and its transition point is estimated graphically to be 45.5-46.0℃. No solid solution of LiKSO4 with Li2SO4.H2O was found in the system. The system (2) is a simple eutonic type. Pitzer model of electrolyte solution was used to check the obtained solubilities. Data comparison gives good agreement. Two equations were used to correlate density, refractive index of the solution with its composition. Differences between measured and calculated values are less than 0.6% for density, 0.15% for the latter.     

Neutron spectroscopy and magnetic relaxation of the Mn6 nanomagnets

Inelastic neutron scattering has been used to determine the microscopic Hamiltonian describing two high-spin variants of the high-anisotropy Mn₆ nanomagnet. The energy spectrum of both systems is characterized by the presence of several excited total-spin multiplets partially overlapping the S = 12 ground multiplet. This implies that the relaxation processes of these molecules are different from those occurring in prototype giant-spin nanomagnets. In particular, we show that both the height of the energy barrier and resonant tunnelling processes are greatly influenced by low-lying excited total-spin multiplets.     

Resonance Rayleigh Scattering and Resonance Nonlinear Scattering Methods for Determination of Methylene Blue with 12-Tungstophosphoric Acid

In a pH=0.65―1.5 NaAc-HCl medium, methylene blue(MB) reacts with 12-tungstophosphoric acid (TPA) by virtue of electrostatic attraction and hydrophobic force to form a 3:2 ion-association complex. As a result, the intensities of resonance Rayleigh scattering(RRS), second-order scattering(SOS) and frequency doubling scatte- ring(FDS) are enhanced greatly. The maximum scattering wavelengths of RRS, SOS and FDS are located at 316, 647 and 311 nm. The increments of scattering intensity(△I) are directly proportio...     

泥沙输运模拟综述——现状及其发展趋势

随着流体力学中数值方法的飞速发展,计算模型已经成为研究流体运动,泥沙输运和不同环境(诸如河流,湖泊及沿海地区)中相应污染物归趋过程等方面非常有吸引力的工具,在过去的30多年里,发展了许多计算水动力学/泥沙输运模型.文章追溯当前具有代表性的(一维、二维、三维)模型的发展历程,描述他们各自的特点,优势及局限,力图作为对模型方面感兴趣读者的第一指南,同时也为大家讨论模型的局限性,未来的发展趋势和研究需求方面搭建一个平台.给出了模型的表达,时空特性,水动力学和沉积物的耦合方式,处理非恒定流,推移质和悬移质,泥沙交换过程,泥沙类型(粘性或非粘性)及非均匀泥沙输运的能力.总结了不同模型的应用实例,读者可以运用这些例子作为研究模型设置,模型率定及模型验证的参考.给出了选择泥沙输运模型应遵循的原则,模型输入及率定方面存在的问题及改进的途径.探讨了现有水动力学/泥沙输运模型在处理复杂湍流,泥沙携带,流动与输沙耦合,非均匀泥沙,离散和扩散系数,河岸来沙处理等方面的局限性及改进的方向.最后,对基于多相流思想的泥沙输运模型及其它一些交叉性问题作了评述与展望.     

Cu掺杂TiO_2作为SERS基底的研究

本文采用溶胶-水热法制备了TiO2及Cu掺杂的TiO2纳米粒子作为表面增强拉曼光谱(SERS)活性基底,观察到当4-巯基苯甲酸吸附在3%Cu掺杂的TiO2表面上时,其SERS信号得到了最大程度的增强.Cu离子掺杂进TiO2晶格时会使TiO2表面的缺陷浓度(表面态)得到增加,一定量的缺陷浓度对TiO2-to-Molecule的电荷转移机理起到促进作用,进一步证明了化学增强机理在SERS现象的贡献.     

Boron Separation by the Two—step Ion—Exchange for the Isotopic Measurement of Boron

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Synthesis, physicochemical characterization and crystallographic twinning of Li2ZnSnS4

Li₂ZnSnS₄ is a new diamond-like semiconductor, which is of interest as a host structure for the creation of potentially interesting electronic, magnetic and photovoltaic materials. The compound was synthesized via traditional high-temperature solid-state methods and was predicted to adopt a wurtz-stannite structure with all atoms possessing tetrahedral environments. Initial analysis of single-crystal X-ray diffraction data indicated crystallographic disorder that upon closer examination violated basic chemical principles. The structure was subsequently re-evaluated and the apparent “disorder” problem was found to be the result of pseudo-merohedral twinning. The crystal structure was finally solved in the monoclinic space group Pn, which resulted in a chemically reasonable model. The refinement converged with R1=1.68% (for all data). Additional characterization of the sample, including diffuse reflectance, thermal analysis and second harmonic generation measurements, was also performed.     

X-ray crystal structure of cis-{(±)-6,6′-[[1,1′-biphenyl]-2,2′-diylbis(oxy)]bis–dibenzo[d,f][1,3,2]dioxaphosphepin} diiodoplatinum(II)·dichloromethane

Bis(dibenzo[d,f][1,3,2]dixoaphosphepin) ligands are extensively used in catalysts for asymmetric alkene hydroformylation; however, few crystal structures of complexes of these ligands have been reported. In this paper, the synthesis and X-ray crystal structure of cis-{(±)-6,6-[[1,1-biphenyl]-2,2-diylbis(oxy)]bis-dibenzo[d,f][1,3,2]dioxaphosphepin} diiodoplatinum (II)·dichloromethane are presented. This complex crystallizes in the triclinic space group P1¯ with a = 12.0842(2,3) b = 12.6993(15) c = 13.2801(18) Å; = 85.852(10), = 76.723(13), = 72.400(12)°, V = 1890.7(10) ų and Z = 4. The diastereomer that has crystallized has an R*R*R*(S*S*S*) configuration. This X-ray crystal structure supports previous observations that bis(phosphite) ligands with bridging groups derived from 2,2-biphenol can exhibit a wide range of bite angles (>20°).     

A semi-hierarchic computer network for data acquisition and control in staircase voltammetry

A simple computer system designed for controlling voltammetric experiments has been implemented. The system connects a Hewlett-Packard 2100A minicomputer with a Texas Instruments 9900 microcomputer by means of a bidirectional serial transmission link. Experimental parameters are down-loaded from the host to the satellite which supervises the experiments at a remote location. The data collected are transmitted back to the host at 2400 baud for reduction and plotting. Through this division of labor, each system is used to its best advantage. Although the software developed is specifically for staircase voltammetry, the system hardware is of general-purpose design which is suited for other types of pulse experiment.