Investigation of chemical decomposition of CCl4 on TiO2 near room temperature

Dissociative adsorption of CCl₄ on TiO₂ at 35 °C has been studied by Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy, and electron spin resonance. CCl₄ decompose to form CO, CO₂, and CO₃ on the surface, at such a low temperature, in which CO₂ formation is not from CO oxidation on TiO₂, but CO₃ can be produced by CO and CO₂ adsorption. The Cl generated from CCl₄ decomposition is left on the surface and bonded to titanium ions. Mineralization of CCl₄ on TiO₂ involves the lattice oxygens. Thermodynamical driving force and possible reaction routes for CO and CO₂ formation in the CCl₄ decomposition on TiO₂ are discussed.     

Dielectric and conduction mechanism studies of PVA-orthophosphoric acid polymer electrolyte

Polyvinyl alcohol (PVA)-based proton conducting polymer electrolytes have been prepared by the solution cast technique. The conductivity is observed to increase from 10⁻⁹ to 10⁻⁴ S cm⁻¹ as a result of orthophosphoric acid (H₃PO₄) addition. The plot of conductivity vs temperature shows that a phase transition occurred at 343 K in the sample PVA-33 wt% H₃PO₄. The β-relaxation peak is observed at 313 K. The glass transition temperature of PVA-33 wt% H₃PO₄ is 343 K. Orthophosphoric acid seems to play a dual role, i.e., as a proton source and as a plasticizer. The ac conductivity σ _ac = Aω ^s was also calculated in the temperature range from 303 to 353 K. The conduction mechanism was inferred by plotting the graph of s vs T from which the conduction mechanism for sample PVA-17 wt% H₃PO₄ was inferred to occur by way of the overlapping large polaron tunneling (OLPT) model and the conduction mechanism for the sample PVA-33 wt% H₃PO₄ by way of the correlated barrier height (CBH) model.     

Synthesis and cyclization of 1-arylalk-1-ene-3,5-diynylamines

An investigation of the reaction of 1-lithio-1,3-diynes, generated in situ, with nitriles has been carried out. In the case of aromatic nitriles 1-arylalk-1-ene-3,5-diynylamines are formed, which undergo dimerization and cyclization on isolation, giving 3-(alka-1,3-diynyl)-4-(alk-2-ynyl)-2,6-diarylpyridines. The effect of the nature of the substituent in the benzonitrile molecule on the selectivity of the reaction and the yield of the products has been determined. A scheme is proposed for the conversions and the structures of the intermediates have been established. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 5, pp. 701–710, May, 2006.     

Microwave synthesis of magnetic Fe3O4 nanoparticles used as a precursor of nanocomposites and ferrofluids

Methods to synthesize magnetic Fe₃O₄ nanoparticles and to modify the surface of particles are presented in the present investigation. Fe₃O₄ magnetic nanoparticles were prepared by the co-precipitation of Fe³⁺ and Fe²⁺, NH₃·H₂O was used as the precipitating agent to adjust the pH value, and the aging of Fe₃O₄ magnetic nanoparticles was accelerated by microwave (MW) irradiation. The obtained Fe₃O₄ magnetic nanoparticles were characterized by Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), X-ray powder diffraction (XRD) and vibrating sample magnetometer (VSM). The average size of Fe₃O₄ crystallites was found to be around 8–9 nm. Thereafter, the surface of Fe₃O₄ magnetic nanoparticles was modified by stearic acid. The resultant sample was characterized by FT-IR, scanning electron microscopy (SEM), XRD, lipophilic degree (LD) and sedimentation test. The FT-IR results indicated that a covalent bond was formed by chemical reaction between the hydroxyl groups on the surface of Fe₃O₄ nanoparticles and carboxyl groups of stearic acid, which changed the polarity of Fe₃O₄ nanoparticles. The dispersion of Fe₃O₄ in organic solvent was greatly improved. Effects of reaction time, reaction temperature and concentration of stearic acid on particle surface modification were investigated. In addition, Fe₃O₄/polystyrene (PS) nanocomposite was synthesized by adding surface modified Fe₃O₄ magnetic nanoparticles into styrene monomer, followed by the radical polymerization. The obtained nanocomposite was tested by thermogravimetry (TG), differential scanning calorimetry (DSC) and XRD. Results revealed that the thermal stability of PS was not significantly changed after adding Fe₃O₄ nanoparticles. The Fe₃O₄ magnetic fluid was characterized using UV–vis spectrophotometer, Gouy magnetic balance and laser particle-size analyzer. The testing results showed that the magnetic fluid had excellent stability, and had susceptibility of 4.46×10⁻⁸ and saturated magnetization of 6.56 emu/g. In addition, the mean size d (0.99) of magnetic Fe₃O₄ nanoparticles in the fluid was 36.19 nm.     

First-principles study on the origin of optical transitions to be associated with F colour centers for PbWO4 crystals

The electronic structures of PbWO₄ crystals containing F type color centers with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Direc–Slater theory, using a numerically discrete variational (DV-Xα) method. The calculated results show that F and F⁺ centers have donor energy level in forbidden band. Their optical transition energy are 1.84 eV, 2.21 eV, respectively, which corresponds to the 680 nm, 550 nm absorption bands. It predicts that the 680 nm, 550 nm absorption bands originate form the F and F⁺ centers in PbWO₄ crystals.     

Microstructure of laser melted Al18B4O33w/2024Al composite

The microstructure of a laser treated Al₁₈B₄O₃₃w/2024Al composite has been investigated using transmission electron microscope (TEM), low-angle (glancing angle) X-ray diffraction (XRD) techniques. Various surface microstructures were observed in the laser treated composite. The Al₁₈B₄O₃₃ whisker on the surface of the composite was decomposed during laser surface melting, various decomposition products were studied in the laser treated composite. Eutectic phases and the precipitation in the matrix of the composite with laser-treated were observed. The main phases detected in the molten zone were aluminum and decomposition products Al₂O₃. The effect of laser treatment on the hardness of the composite was also examined. A surface hardness of 400 Hv was noted.     

Monte Carlo散射标记方法在辐射防护设计中的应用

在X射线检查系统中,辐射防护中除了需要重点考虑透射和漏射外,散射的成分也必须考虑,而且散射的影响变得越来越重要,这一点在同方威视的固定式、组合式和车载式系统中都已经得到了体现。针对散射的问题,该文进行了系统的研究,提出了在Monte Carlo计算中采用散射标记方法分析各散射体对于散射的贡献,克服了传统方法无法准确计算某一点的散射剂量率以及各散射体对散射的贡献的局限,并利用实验进行了验证。该文采用的计算工具是Geant4软件包。结果表明,该文提出的方法是可行的,尤其在复杂系统的辐射防护优化设计中具有较好的指导作用。