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.     

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.     

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.     

Synthesis and Characterizations of Triphenylamine End-Functionalized Polymers via Reversible Addition-Fragmentation Chain Transfer Polymerization

A novel reversible addition-fragmentation chain transfer (RAFT) reagent bearing triphenylamine (TPA) group, 4-diphenylamino-dithiobenzoic acid benzyl ester (DDABE), was designed and synthesized. It was used in the RAFT polymerizations of styrene (St) and methyl acrylate (MA) to prepare end-functionalized polymers. The results of the polymerization showed that the RAFT polymerizations could be well controlled using DDABE as the RAFT agent. Number-average molecular weight (M_n,GPC) increased linearly with monomer conversion, and molecular weight distributions were relatively narrow (PDI< 1.50). The results of chain-extension reaction, ¹H NMR spectra and UV/Vis spectra confirmed that most of the polymers chains were end-capped by the functional triphenylamine (TPA) groups. The effect of feed molar ratios of St/DDABE/AIBN on polymerization was investigated.     

Synthesis of TiO<Subscript>2</Subscript> Hybrid Molecular Imprinted Polymer for Ethofumesate Linked by Silane Coupling Agent

TiO₂ hybrid molecular imprinted polymer (MIP) for ethofumesate using methacrylic acid (MAA) as the functional monomer and silane coupling agent 3-(trimethoxysilyl) propylmethacrylate (KH570) as organic–inorganic connective bridge was synthesized via photo-excitation method. Hydrogen bond was proved to act between MAA and ethofumesate for pre- and post-polymerization binding properties as testified by UV spectrometric method. KH570 modified TiO₂ nanoparticles were prepared via sonochemical reaction, which can accelerate hydrolysis, increase collision chance for the reactive system and improve the dispersion of the nanoparticles. Scanning electron microscope (SEM), transmission electron microscope (TEM), binding and the adsorption kinetics experiments as well as thermogravimetric analysis (TGA) were employed for characterization. The results indicated that the hybrid MIP revealed a larger surface area and more ordered imprinting cavities with improved thermal stability compared to organic-only MIP. Furthermore, faster adsorption kinetics and enhancive adsorption capacity were achieved, which made it promising in chemical sensor applications.     

Controlled Synthesis of Ag2S,Ag2Se,and Ag Nanofibers by Using a General Sacrificial Template and Their Application in Electronic Device Fabrication

Nanofiber bundles of Ag₂S, Ag₂Se, and Ag have been successfully synthesized by making use of Ag₂C₂O₄ template nanofiber bundles, utilizing both anion‐exchange and redox reactions. The obtained bundles were polycrystalline nanofibers composed of nanoparticles in which the precursor morphology was well‐preserved, indicating that Ag₂C₂O₄ nanofiber bundles acted as a general sacrificial template for the synthesis of silver‐based semiconductor and metal nanofibers. Dispersing media and transforming reactants were found to be key factors influencing the chemical transformation in the system. In particular, separate single‐crystalline Ag nanofibers were obtained via a nontemplate route when ascorbic acid was used as a relatively weak reductant. An electrical transfer and switching device was built with the obtained Ag₂S and Ag nanofiber bundles, utilizing the unique ion‐conductor nature of Ag₂S and revealing their potential applications in electronics.     

Structural and Superconducting Property Variations with Nominal Mg Non‐Stoichiometry in MgxB2 and Its Enhancement of Upper Critical Field

By applying a combination of characterisation tools, changes in structural and superconducting properties with nominal Mg non‐stoichiometry in Mg_xB₂ are found. The non‐stoichiometry produces enhanced in‐field critical current densities (J_c's) and upper critical field / irreversibility field (H_c2/H_irr(T)) values. Upper critical fields of ～ 21 T (4.2 K) were obtained in nominal Mg‐deficient samples compared to ～ 17 T (4.2 K) for near‐stoichiometric samples.     

Investigation on Single-Mode–Multimode– Single-Mode Fiber Structure

This paper presents an investigation on a single-mode-multimode-single-mode fiber structure. A one-way guided-mode propagation analysis for the circular symmetry waveguide is employed to model the light propagation and the approximated formulations are derived and evaluated concerning the accuracy. Phase conjunction of the multimode interference within the fiber structure is revealed. A simple way to predict and analyze the spectral response of the structure is presented through the space to wavelength mapping with the derived approximated formulations. The prediction of spectral response is verified numerically and experimentally.     

Effect of surfactants and liquid hydrocarbons on gas hydrate formation rate and storage capacity

Hydrate formation rate plays an important role in making hydrates for the storage and transport of natural gas. Micellar surfactant solutions were found to increase gas hydrate formation rate and storage capacity. With the presence of surfactant, hydrate could form quickly in a quiescent system and the energy costs of hydrate formation reduced. Surfactants (an anionic surfactant, a non‐ionic surfactant and their mixtures) and liquid hydrocarbons (cyclopentane and methylcyclohexane) were used to improve hydrate formation. The experiments of hydrate formation were carried out in the pressure range 3.69–6.82 MPa and the temperature range 274.05–277.55 K. The experimental pressures were kept constant during hydrate formation in each experimental run. The effect of anionic surfactant (sodium dodecyl sulphate (SDS)) on natural gas storage in hydrates is more pronounced compared to a non‐ionic surfactant (dodecyl polysaccharide glycoside (DPG)). The induction time of hydrate formation was reduced with the presence of cyclopentane (CP). Cyclopentane and methylcyclohexane (MCH) could increase hydrate formation rate, but reduced hydrate storage capacity The higher methylcyclohexane concentration, the lower the hydrate storage capacity. Copyright © 2003 John Wiley & Sons, Ltd.