COMPUTERIZED SIMULATION OF MOLTEN SALT SOLUTION OF Li,KF,Cl SYSTEM BY MOLECULAR DYNAMIC METHOD

The structure and properties of molten salt solution o J Li,K|F,Cl system have been investigedby computerized simulation of molecular dynamic method.The partial RDF,the partial molarenergy of mixing and the diffusion coeffients of Li~+,K~+,F~- and Cl~- have been calculated.The results are in agreement with the experimental values.The regularities of the distributionof ions and mieroscopic holes are discussed based on the results of computerized simulation.     

Electrical resistivities and phase transformations of lanthanum,cerium, praseodymium,and neodymium

The electrical resistivities of high purity lanthanum, cerium, praseodymium, and neodymium were investigated as a function of temperature over the range from room temperature to near the melting points of the metals. Transformation temperatures were observed in these metals which were confirmed by supplementary X-ray diffraction studies.     

Nonlinear optical behavior of alkyne terminated phthalocyanines in solution and when embedded in polysulfone as thin films: Effects of aggregation

We report here for the first time, on the comparative studies of the photophysical and optical limiting behavior of our two novel phthalocyanines namely 2(3), 9(10), 16(17), 23(24)-tetrakis-(4-(5-methylhex-1-yn-3-yloxy)) phthalocyanines 2, and 2(3), 9(10), 16(17), 23(24)-tetrakis-(4-(5-methylhex-1-yn-3-yloxy)) phthalocyaninato zinc (II) (3) in solution and thin films. Nonlinear optical (NLO) properties of the samples in solution and contained in polysulfone (PSU) thin films were evaluated using Z-scan technique at 532 nm and 10 ns pulsed duration. Effects of aggregation and disaggregation on the NLO performance of metal-free phthalocyanine are reported in detail. Our findings showed that the prepared Pcs show larger nonlinear absorption coefficient and lower limiting thresholds when embedded in polysulfone films compared to in solutions. The values of nonlinear susceptibility and hyperpolarizability recorded for 3-PSU in this work are respectively, ∼2.09 × 10⁻⁸ esu and ∼1.02 × 10⁻²⁶ esu. These values are among the largest values reported for phthalocyanines and other macrocycles doped on polymer matrices.     

A new approach to the design of high-Tc superconductors: Metallised interlayers

We show from muon spin relaxation (SR) studies on mercury HTS superconductors that a 50-fold increase in irreversibility field obtained by partial substitution of Re for Hg is due to metallisation of the Hg/Re layer. Induced superconductivity on this metallic layer doubles the overall superfluid density. This suggests a new approach to the design of high performance HTS materials: metallising one of the non-CuO₂ interlayers and thereby greatly enhancing the superconducting properties.     

Cell formation in group technology using constraint programming and Boolean satisfiability

Cell formation consists in organizing a plant as a set of cells, each of them containing machines that process similar types or families of parts. The idea is to minimize the part flow among cells in order to reduce costs and increase productivity. The literature presents different approaches devoted to solve this problem, which are mainly based on mathematical programming and on evolutionary computing. Mathematical programming can guarantee a global optimal solution, however at a higher computational cost than an evolutionary algorithm, which can assure a good enough optimum in a fixed amount of time. In this paper, we model and solve this problem by using state-of-the-art constraint programming (CP) techniques and Boolean satisfiability (SAT) technology. We present different experimental results that demonstrate the efficiency of the proposed optimization models. Indeed, CP and SAT implementations are able to reach the global optima in all tested instances and in competitive runtime.     

Generalization of the Y-differential autotransformer for 12- and 18-pulse converters

This work proposes a methodology to generalize the Y-connections for 12- and 18-pulse autotransformers. A single mathematical expression, obtained through simple trigonometric operations, represents all the connections. The proposed methodology allows choosing any ratio between the input and the output voltages. The converters can operate either as step-up or as step-down voltage. To simplify the design of the windings, graphics are generated to calculate the turn-ratio and the polarity of each secondary winding, with respect to the primary winding. A design example, followed by digital simulations, illustrates the presented steps. Experimental results of two prototypes (12 and 18 pulses) are presented. The results also show that high power factor is an inherent characteristic of multi-pulse converters, without any active or passive power factor pre-regulators needs.     

Photocatalytic property of SiO2/TiO2 nanoparticles prepared by sol-hydrothermal process

Silica-embedded nanocrystalline TiO₂ powders were synthesized by sol-hydrothermal process. The influence of the composition of the solvent and the embedded silica content on the phase transition, grain growth and subsequently, on the photoactivity of TiO₂ were investigated. The volume ratio of ethanol to water for the solvent composition was varied from 0.125 to 8 and the mole fraction of silica content was changed from 0 to 0.4, while the condition for hydrothermal reaction was fixed at 250^∘C for 2 hour. With an increase in ethanol content in solvent composition, the crystallite sizes of pure TiO₂ particles decreased from 15 nm to 6 nm and crystal phase changed from rutile/anatase mixed phase to pure anatase phase. Addition of silica to TiO₂ brought about an increase in the photocatalytic activity by suppressing the phase transition from anatase to rutile. Judging from the result of the decomposition of 1, 4-dichlorobenzene, the most efficient catalyst was found to be 0.2 mole fraction SiO₂ embedded TiO₂ prepared with ethanol-rich solvent (the volume ratio of ethanol to water is 4).     

香兰素法合成3,4,5-三甲氧基苯甲醛工艺研究

采用香兰素法合成药物中间体3,4,5-三甲氧基苯甲醛,总收率为71%.以香兰素为原料,采用溴素为溴代试剂制备5-溴香兰素,收率达96%以上.甲氧基化反应以氯化亚铜作为催化剂,DMF为溶剂,甲醇钠为甲氧基化试剂制得丁香醛,收率为90%.以碳酸二甲酯为甲基化试剂使丁香醛发生甲基化反应制得3,4,5-三甲氧基苯甲醛,收率为82%.     

Thermochromic VO2 nanorods and other vanadium oxides nanostructures

Thermochromic VO₂ nanorods were prepared via thermal conversion of the metastable VO₂–B phase synthesized by hydrothermal methods. We observe an increased thermochromic transition temperature to ∼75–80 °C by variable-temperature infrared spectroscopy. Nano- and sub-micron structures of other vanadium oxides (V₃O₇, (NH₄)_0.5V₂O₅, and V₂O₅) were obtained simply by varying the starting materials in the hydrothermal synthesis. We also obtained nanostructures of the high temperature tetragonal rutile phase of VO₂ by thermolysis of single-source vanadium (IV) precursors.     

Surfactant-assisted preparation of fluoride-substituted hydroxyapatite nanorods

Fluoride-substituted hydroxyapatite (FHAp) nanorods have been successfully prepared by adding Tween80. As compared to the spheroidal morphology without any surfactant, the FHAp nanorods prepared with Tween80 were elongated along the c-axis. The reason was attributable to the enlarged difference between the growth rates of crystal surfaces due to the adsorption of Tween80. The effects of the pH value on the apatite formation were investigated by calculating the solubility isotherms of the Ca²⁺–PO₄³⁻–F⁻–H₂O system in conjunction with experimental results, and it was found that acidic solutions were unfavorable to FHAp preparation and the proper pH should be controlled at about 9 when preparing the FHAp nanorods with the addition of Tween80.