Thermally Stable, Latent Olefin Metathesis Catalysts

Highly thermally stable N-aryl,N-alkyl N-heterocyclic carbene (NHC) ruthenium catalysts were designed and synthesized for latent olefin metathesis. These catalysts showed excellent latent behavior toward metathesis reactions, whereby the complexes were inactive at ambient temperature and initiated at elevated temperatures, a challenging property to achieve with second generation catalysts. A sterically hindered N-tert-butyl substituent on the NHC ligand of the ruthenium complex was found to induce latent behavior toward cross-metathesis reactions, and exchange of the chloride ligands for iodide ligands was necessary to attain latent behavior during ring-opening metathesis polymerization (ROMP). Iodide-based catalysts showed no reactivity toward ROMP of norbornene-derived monomers at 25 °C, and upon heating to 85 °C gave complete conversion of monomer to polymer in less than 2 hours. All of the complexes were very stable to air, moisture, and elevated temperatures up to at least 90 °C, and exhibited a long catalyst lifetime in solution at elevated temperatures.     

铁路施工企业和谐构建探析

本文主要针对铁路施工企业如何构建和谐企业这个问题,提出个人见解,仅供参考。     

Wear Performance of Laser Processed Tantalum Coatings

This first generation investigation evaluates the in vitro tribological performance of laser-processed Ta coatings on Ti for load-bearing implant applications. Linear reciprocating wear tests in simulated body fluid showed one order of magnitude less wear rate, of the order of 10(-4)mm(3)(N.m)(-1), for Ta coatings compared to Ti. Our results demonstrate that Ta coatings can potentially minimize the early-stage bone-implant interface micro-motion induced wear debris generation due to their excellent bioactivity comparable to that of hydroxyapatite (HA), high wear resistance and toughness compared to popular HA coatings.     

Photoanode Activity of ZnO Nanotube Based Dye-Sensitized Solar Cells

Vertical ZnO nanotube (ZNT) arrays were synthesized onto an indium doped tin oxide (ITO) glass substrate by a simple electrochemical deposition technique followed by a selective etching process. Scanning electron microscopy (SEM) showed formation of well-faceted hexagonal ZNT arrays spreading uniformly over a largearea. X-ray diffraction (XRD) of ZNT layer showed substantially higher intensity for the (0002) diffractionpeak, indicating that the ZnO crystallites were well aligned with their c-axis. Profilometer measurements ofthe ZNT layer showed an average thickness of ～7 μm. Diameter size distribution (DSD) analysis showedthat ZNTs exhibited a narrow diameter size distribution in the range of 65–120 nm and centered at ～75nm. The photoluminescence (PL) spectrum measurement showed violet and blue luminescence peaks thatwere centered at 410 and 480 nm, respectively, indicating the presence of internal defects. Ultra-violet (UV)spectroscopy showed major absorbance peak at ～348 nm, exhibiting an increase in energy gap value of 3.4 eV.By employing the formed ZNTs as the photo-anode for a dye-sensitized solar cell (DSSC), a full-sun conversion efficiency of 1.01% was achieved with a fill factor of 54%. Quantum efficiency studies showed the maximumof incident photon-to-electron conversion efficiency in a visible region located at 520–550 nm range.     

超级电容器用新型微晶炭电极材料的研究进展

作为一种新型超级电容器电极材料,新型微晶炭含有大量类石墨微晶结构,在高比能量电容器上有着良好的应用前景。介绍了新型微晶炭作为超级电容器电极材料时的“电活化”现象以及影响微晶炭电化学电容性能的因素,指出选择理想微晶炭原料,探索最佳工艺参数,寻找合适活化电位是今后研究的重要方向。     

Transport Properties of K_xV_2O_5·nH_2O Nanocrystalline Films

Five different compositions of K x V 2 O 5 ·nH 2 O(where x=0.00,0.0017,0.0049,0.0064 and 0.0091 mol) were prepared by the sol-gel process.Electrical conductivity and thermoelectric power were measured parallel to the substrate surface in the temperature range of 300-480 K.The electrical conductivity showed that all samples were semiconductors and that conductivity increased with increasing K content.The conductivity of the present system was primarily determined by hopping carrier mobility.The carrier density was evaluated as well.The conduction was confirmed to obey non-adiabatic small polaron hopping.The thermoelectric power or Seebeck effect,increased with increasing K ions content.The results obtained indicated that an n-type semiconducting behavior within the temperature range was investigated.     

弥散铁石墨废料可作为获取新材料的原料

研究了冶金生产中产生的弥散铁石墨废料的综合特性：化学成分、粒度分布和物相分析结果、堆积密度、电阻率、饱和单位磁化强度。从而表明,利用高温还原处理（磁化焙烧和自还原碳热处理）,从弥散铁石墨中可以获得具有所有电物理性质的混合物材料。     

Coarse-graining the electrostatic potential via distributed multipole expansions

Multipole expansions offer a natural path to coarse-graining the electrostatic potential. However, the validity of the expansion is restricted to regions outside a spherical enclosure of the distribution of charge and, therefore, not suitable for most applications that demand accurate representation at arbitrary positions around the molecule. We propose and demonstrate a distributed multipole expansion approach that resolves this limitation. We also provide a practical algorithm for the computational implementation of this approach. The method allows the partitioning of the charge distribution into subsystems so that the multipole expansion of each component of the partition, and therefore of their superposition, is valid outside an enclosing surface of the molecule of arbitrary shape. The complexity of the resulting coarse-grained model of electrostatic potential is dictated by the area of the molecular surface and therefore, for a typical three-dimensional molecule, it scale as N2/3 with N, the number of charges in the system. This makes the method especially useful for coarse-grained studies of biological systems consisting of many large macromolecules provided that the configuration of the individual molecules can be approximated as fixed.     

一种改进的合成流量法及其在水文预报中的应用

合成流量法对下游站流量作出预报的关键是确定各上游站流量到达下游站的时间。在实际中常采用平均传播时间,然而不同水情下真实传播时间与平均传播时间存在一定的差距,影响预报精度。对此,提出时间窗口概念,以平均传播时间为中心,向前、后各开一个时间窗口,用上游各站时间窗口内流量的线性组合表示其到达下游站的流量,以提高模型对不同水情的适应能力和预报精度。以三峡水库2009～2015年流量数据率定参数,以2016～2018年流量数据作为预报对象,试验结果表明时间窗口法能够显著改善预报精度。     

Humidity sensing properties of Cu2O-PEPC nanocomposite films

In this study, the blend of copper oxide nanopowder (Cu2O), 3 wt.% and poly-N-epoxypropylcarbazole (PEPC), 2 wt.% in benzol were drop-casted on glass substrates with pre-deposited surface-type silver electrodes for the fabrication of Cu2O-PEPC nanocomposite thin films. The thicknesses of the Cu2O-PEPC films were in the range of 10-13 μm. The effect of humidity on the electrical properties of the nanocomposite films was investigated by measurement of the capacitance and dissipation of the samples at two different frequencies of the applied voltage: 120 Hz and 1 kHz. The AC resistance of the samples was determined from values of dissipation. The DC resistance was measured directly. The effect of ageing on the humidity sensing properties of the nanocomposite was observed. After the ageing it was observed that at 120 Hz and 1 kHz, under humidity of up to 86% RH , the capacitance of the cell increased by 85 and 8 times and resistance decreased by 345 and 157 times, accordingly, with respect to 30% RH conditions. It was found that with increase of the frequency, the capacitance and resistance of the samples decreased. It is assumed that the humidity response of the cell is associated with diffusion of water vapors and doping of the semiconductor nanocomposite by water molecules.