Structural study of cubic pyrochlores based on quantum mechanical simulation

In the ideal A₂B₂O₆O′ pyrochlore structure, the x-value of O atom position is a variable parameter. In Bi_1.5ZnNb_1.5−xTa_xO₇ (BZNT) cubic pyrochlores, the x-values alter with the different compositions of Nb/Ta. In this work, a series of initial models for BZNT were established by analyzing X-ray diffraction data. Then three structure modifying methods, including Rietveld refinement, Rietveld refinement with energy and geometry optimization based on quantum mechanics, were employed to obtain the precise models using Materials Studio. Moreover, the reflectivities of BZNT were computed by quantum mechanical simulation based on the refined models. Comparing the simulation results from different modifying models with the experimental results, it is found that Rietveld refinement with energy optimization is the most accurate method for BZNT pyrochlores. According to the simulation results, the different reflectivities correspond well with various x-values of O atom positions in BZNT pyrochlores.     

Swift and Selective Reduction of Nitroaromatics to Aromatic Amines with Ni–Boride–Silica Catalysts System at Low Temperature

Various nitroaromatics are successfully reduced to amines with 100% conversion and selectivity in methanol at low temperature (≈5 °C), by using versatile system of 5% Ni–SiO₂ catalyst and NaBH₄ and in situ generation of Ni boride. The catalytic efficiency of Ni loading (5%, 10% and 15%) with silica or titania as support materials is investigated for reduction of nitrobenzene. The Ni–titania/NaBH₄ system recorded lower conversion and selectivity. The IR studies indicate that silica support does not have free –OH group on its surface. Thus the nickel boride is anchored to the silica to facilitate the catalytic process.     

Robustness of classification rules that incorporate additional information

The discrimination problem for two normal populations with the same covariance matrix when additional information on the population is available is considered. A study of the robustness properties against training sample contamination of classification rules that incorporate this additional information is performed. These rules have received recently attention where their total misclassification probability (TMP) is proved to be lower than Fisher's linear discriminant rule. The results of a simulation study on the TMP which compares the behaviour of the new rules against Fisher's rule and some of its robustified versions under different types of contamination are presented. These results show that the rules that incorporate the additional information not only have lower TMP, but they also prevent against some types of contamination. In order to achieve prevention from all types of contamination a robustifed version of these rules is recommended.     

富氧燃烧技术在梭式窑中的应用

研究了富氧燃烧技术对梭式窑烧成的影响.研究结果表明,随着氧浓度从21%-30%的逐渐增加,CO总浓度和NO总浓度都先明显下降,后缓慢上升;节能效果在初始段较为明显,而后效果不明显;而实际烟气量与氧浓度成反比,与过剩空气系数成正比.     

提高干凝胶强度的途径

干凝胶作为一种新型的轻质多孔材料在工业生产和人们的生活中具有广泛的应用,但是其较低的强度和易碎裂的特点却限制了其实际应用.结合干凝胶的制备过程,总结了几种有效的降低结构破坏的途径,并对其机理做了简要分析,最后对干凝胶的应用前景做了展望.     

Laminar-turbulent transition in an electromagnetically levitated droplet

During experiments on the MSL-1 (first microgravity science laboratory) mission of the space shuttle (STS-83 and STS-94, April and July 1997), a droplet of palladium-silicon alloy was electromagnetically levitated for viscosity measurements. For the nondeforming droplet, the resultant magnetohydrodynamic (MHD) flow inside the drop can be inferred from motion of impurity particulates on the surface. In the experiments, subsequent to melting, Joule heating produces a continuous reduction of viscosity of the fluid resulting in an acceleration of the flow with time. These observations indicate formation of a pair of co-rotating toroidal flow structures inside the spheroidal drop that undergo flow instabilities. As the fluid temperature rises, the amplitude of the secondary flow increases, and beyond a point, the tracers exhibit noncoherent chaotic motion signifying emergence of turbulence inside the drop. Assuming that the observed laminar-turbulent transition is shear-layer type, the internal structure of the toroidal loops is used to develop a semiempirical correlation for the onset of turbulence. Our calculations indicate that the suggested correlation is in modest agreement with the experimental data, with the transition occurring at a Reynolds number of 600.     

Method to Characterize the Air Flow and Water Removal Characteristics During Vacuum Dewatering. Part II—Analysis and Characterization

This is part II of a study reported earlier on a method to characterize the air flow and water removal characteristics during vacuum dewatering. This article presents experimental data and analysis of results from the use of a cyclically actuated vacuum dewatering device for removing moisture from wetted porous materials such as paper with the intermittent application of vacuum and accompanying air flow though the material. Results presented include sheet moisture content as a function of residence time and hence water removal rate under a variety of process conditions. Also, experimental results on air flow through the wet porous structure and hence the role and importance of air flow during vacuum dewatering are presented. Vacuum dewatering process conditions include exit solids content between 11 and 20% solid under applied vacuum conditions of 13.5 to 67.7 kPa (4 to 20 in. Hg). Regression analysis indicated that the exit sheet moisture content exhibited a nonlinear relationship with residence time with exit solids reaching a plateau after a certain residence time. Final moisture content correlated linearly with the average overall flow rate of air through the paper sample and the basis weight of the material.     

SHS of shape memory CuZnAl alloys

Aiming at preparation of shape memory alloys (SMAs), we explored the SHS of Cu_{1 − x} Zn_{1 − y} Al_{1 − z} alloys (0.29 < x < 0.30, 0.74 < y < 0.75, and 0.83 < z < 0.96). The most pronounced shape memory effect was exhibited by the alloys of the following compositions (wt %): (1) Cu(70.6)Zn(25.4)Al(4.0), (2) Cu(70.1)Zn(25.9)Al(4.0), and (3) Cu(69.9)Zn(26.1)Al(4.0). The effect of process parameters on the synthesis of CuZnAl alloys was studied by XRD, optical microscopy, and scanning electron microscopy (SEM). The grain size of CuZnAl was found to depend on the relative amount of the primary CuZn and AlZn phases. Changes in the transformation temperature and heat of transformation are discussed in terms of ignition intensity and compaction. Mechanism of the process depends on the level of the temperature attained relative to the melting point of components. At the melting point of AlZn, the process is controlled by the solid-state diffusion of AlZn into a product layer. The ignition temperature for this system depends on the temperature of the austenite-martensite transformation in CuZnAl alloys. The composition and structure of the products was found to markedly depend on process parameters. The SHS technique has been successfully used to prepare a variety of SMAs.      

汽车漆漆膜质量的改进与提高

通过对车身漆膜质量问题的分析,采取专业清洁公司整体承包车间保洁、工艺方面改进、更换生产外材料、供应商加强对汽车漆使用的监控等一系列措施,漆膜质量水平得以提高.     

Complex processing of fluorine-containing wastes of fluorite ores

The possibility of processing fluorine-containing wastes of fluorite ore, which include fluorite, calcite, quartz, and anorthite, has been investigated. A manufacturing flow chart of the complex processing of the ore waste materials with the production of sodium fluoride, alumina, soda ash, and raw materials suitable for the production of Portland cement and wollastonite is suggested.