Electrochemical reduction of sodium metavanadate in an equimolar KCl-NaCl melt

Electrochemical reduction of sodium metavanadate in an equimolar KCl-NaCl melt and the effect of acid-base properties of environment on this process are studied by a voltammetry method on a stationary platinum electrode. It is established that the limiting current of the NaVO₃ electroreduction process has a kinetic nature. The process proceeds via an autoinhibition scheme and its rate is limited by an acid-base reaction conjugated with an irreversible charge transfer reaction. A substantial role of cationic composition of the melt is revealed experimentally. Following acidification of the KCl-NaCl-NaVO₃ melt by Mg²⁺ (from MgCl₂), the process passes from an irreversible kinetic regime into a reversible diffusion (quasi-diffusion) process. Values of stability constants for vanadates produced with the aid of acid-base titration of vanadium pentoxide by oxygen ions in experimental conditions are presented. These values are taken into account when calculating kinetic parameters of the NaVO₃ electroreduction.     

论浮力的计算

通过讨论物体下表面不与液体接触时浮力的计算,总结浮力计算的一般方法.     

Molecular dynamics of MgSiO3 perovskite melting

The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压melting temperature, molecular dynamics, high pressureProject supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01).2005-01-125/8/2005 12:00:00 AMThe melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments.     

He-HCl体系各向异性势及分波散射截面的理论研究

首先用BFW势函数形式拟合了在CCSD(T)/aug-cc-pVQZ理论水平下计算的He-HCl相互作用能数据，获得了He原子与HCl分子相互作用的各向异性势；然后采用CC近似方法计算了He-HCl碰撞体系的微分散射截面和分波散射截面，并总结了分波散射截面的变化规律.结果表明，拟合势不但表达形式简洁，而且较好地描述了He-HCl系统相互作用的各向异性特征；利用碰撞体系分子间势的量子化学从头计算结果，可解决势能参数难以确定的问题.对进一步研究原子与分子碰撞机理有一定参考价值. 关键词： 各向异性势 势能参数 密耦近似 分波散射截面     

DESIGN OF A NOVEL 2-D UNIPLANAR CRLH-TL STRUCTURE

A novel uniplanar 2-D composite right/left-handed transmission line (CRLH-TL) structure is proposed based on a general transmission line theory and the way to increase the relative operating bandwidth in the left-handed (LH) region and lower the LH operating frequency is illustrated. In addition, a new method to extract parameters and calculate the Bloch impedance of the structure is presented. Numerical results of the dispersion as well as the extracted parameters are given, which are calculated based on full-wave simulation. The present 2-D uniplanar CRLH-TL structure is applicable to 2-D left-handed materials in lower and wider LH frequency range. Supported by the National Natural Science Foundation of China (No. 60371010) (No. 60471037) (No. 63531020)     

书籍扫描图像畸变参数自动计算方法的研究

为实现书籍扫描图像的畸变自动校正,提出用多项式来描述各像素的理论灰度g(zi)与页面上对应点到扫描仪工作平面距离zi二者之间的关系。为确立该多项式,在畸变参数已知条件下扫描一幅图像,根据已知畸变参数求出zi,即可按最小二乘法原理由各像素灰度的实际值求出多项式的各个系数。实验证明,采用4阶多项式已能满足一般要求,并求出了各系数。对任意扫描图像,自动计算畸变参数的方法为:首先利用扫描图像上页边空白处各像素的灰度,对畸变参数进行估计,并求出zi的估计值;然后代入所确立的多项式,可求得g(zi);通过调整各畸变参数的估计值,直到g(zi)与gi最为接近,即得最佳畸变参数。用于图像校正实验,获得了较好的校正效果,最大误差由不校正时的41%下降到了6.9%。这使得无需用户测量并输入有关畸变参数即可进行自动校正。     

A high-pressure Raman and X-ray diffraction study of the perovskite SrCeO3

A high-pressure structural study of SrCeO₃ has been performed at room temperature by Raman spectroscopy and X-ray diffraction up to 32 and 45 GPa, respectively. A first-order reversible phase transition is observed at about 12 GPa in both techniques. A second weak structural change, taking place between 18 and 25 GPa, can be suspected from Raman data. The increase in the number of Raman bands and diffraction lines is an indication that the symmetry is lowered and the compound does not evolve towards the ideal cubic perovskite structure. A Rietveld analysis of X-ray data was performed for the low-pressure phase and the atomic positions and the cell lattice parameters variations are reported in this paper. The volume compressibility derived from Raman modes (5.6×10⁻¹² Pa⁻¹), involving mainly bond-stretching for each type of polyhedron, is found to be close to the one obtained from volume cell variations measured by X-ray diffraction (7.9×10⁻¹² Pa⁻¹).     

A Scanning Electron Microscopy study of water in soil

Cold stage Scanning Electron Microscopy (SEM) with a rapid cooling technique makes it possible to investigate the water phase within unsaturated porous media. It is thought that this technique preserves the main features of the micromorphology of the water menisci as it exists in the liquid phase in soils. Saddle-shaped elements, as well as pendular rings of water, were observed with concave and convex curvatures of the water-air interface. The hydraulic conductivity of an unsaturated soil may be inferred from SEM photographs. Observations of isolated water menisci indicate the existence of an immobile water domain. The surface geometry of the water menisci was analyzed quantitatively and surface tension and capillary pressure were determined.     

一个组合分布模型及其参数估计

本文根据极值分布理论,提出了一个由原始分布和尾分布组成的组合分布模型,研究了组合分布模型中原始分布和尾分布的确定方法,建立了组合分布模型参数估计的加权最优化模型,实例计算说明,组合分布较好地反映了风险变量极值事件的风险。     

Precise lattice parameter measurements in CsCl-Br solid solutions between room temperature and 90°K by powder x-ray diffraction

Solid solutions of CsCl-Br in five different concentrations were prepared in sealed quartz tubes by heating the mixture to 1123°K for 6–8 hr and quenching to room temperature. X-ray diffractograms were taken at eight different temperatures between room temperature and 90°K for these solid solutions using the YPC50NM powder diffractometer and a continuous flow cryostat. The observed lattice parameters for each sample at each temperature obtained from the powder diffractograms were then extrapolated to give the true lattice parameters using the least square method with Nelson-Riley extrapolation scheme. The values of the true lattice parameters at each concentration and at each temperature were tabulated and the results discussed. It is shown that the lattice parameters vs temperature for some concentrations exhibit an anomalous behaviour. Contribution No. 691