碳酸及碳酸酯热消除反应的量子化学研究

用AM1方法研究了碳酸和碳酸酯的热消除反应．发现迁移基团R和基团R’共同制约这类吸热反应的活化能。     

电子自旋共振准三维图象的重建方法

根据投影切片原理, 设计了一个简单而有效的ESR图象重建算法和程序, 可利用样品的一集ESR谱, 方便地绘制出样品在某截面的自旋密度立体轮廓图、等值图和散点密度分布图等, 为分析和研究自旋密度的分布及其性质, 提供了直观依据。作为应用, 文中给出了石英杜瓦受紫外光辐照后产生的局部晶格缺陷——F心的空间分布图, 图中清楚表明, F心的浓度与辐照方向和辐照强度的密切关系, 与试验结果完全相符。     

稀土复合型柴油催化助燃剂的研制及应用

采用铈、铂的有机配合物及碳酸酯制备出一种稀土复合型柴油催化助燃剂.通过发动机台架试验,表明添加剂可有效降低碳烟PM和NOz排放,并且发动机热效率有所提高.     

Propane oxidation over Pd/LaFe0.8Co0.2O3 catalyst

Pd/LaFe_0.8Co_0.2O₃ was found to be more active than the Pd/Al₂O₃ catalyst in propane oxidation. Activity and the oxidation state of palladium were strongly affected by the redox ratio (S) of reactants. Higher propane conversion could be obtained under rich conditions at higher temperatures, contributing to steam reforming. The presence of excess steam would bring about inhibition and oscillation.     

电场作用下苏氨酸的电流特性研究

制备了以液态苏氨酸为沟道材料的四端有机场效应晶体管,观测了其随着栅极电压的不同呈现出源漏两极之间不同的电学特异现象;还观测了苏氨酸在外电场作用下,阻抗随着源漏之间电压频率变化的关系,提出一个极性液体模型解释了其导电机理。     

表面包覆改性对纳米CeO2分散性的影响

了改善纳米CeO2在Zn-Al类共晶合金中的分散性,采用超声液相包覆法对纳米CeO2进行表面活性剂表面包覆改性,并用AES测定了包覆层的厚度,用TEM研究了CeO2的团聚状况,用TGA分析了有机物包覆层的炭化温度范围,最后用FE-SEM观察了CeO2在复合材料中的分散情况。结果表明,包覆在纳米CeO2表面的厚度约为20 nm的表面活性剂层提高了微粒的分散性,而且该包覆层在495℃时已经炭化。热力学计算的结果也表明,炭化层能与氧化膜反应,该反应提高了CeO2与基体间的润湿性,并使其均匀分布在基体合金中。     

有机硅耐磨透明涂层的固化分析

ＦＴＩＲ、ＴＧ、ＴＢＡ等对有机硅耐磨涂料（有机硅溶胶）的热固化过程研究表明有机硅胶体中缔合羟基间的脱水缩合速率很高；羟基脱水程度与固化温度有关，温度越高，达平衡时羟基的浓度越低，在１０５～１３０℃间羟基的浓度变化最大，加入适当的固化剂，对羟基的脱水交联有促进作用，在较高的固化温度下，反应体系中出现了环氧环异构化产生的酮羰基的吸收峰     

Modified modeling of the effect of pH and viscosity on the mass transfer in hydrophobic hollow fiber membrane contactors

This paper studied the effect of pH and the viscosity of feed solution on the mass transfer in two different specifications of hydrophobic hollow fiber membrane contactors. Experimental results showed that the pH of the feed had a significant effect on the rate of mass transfer, the flux and the removal efficiency of easily ionized volatile compounds (VCs), such as ammonia. In unbuffered feed solutions, both the resistance of membrane and the resistance of feed side were affected by the pH of feed and both of them had contributions to the overall mass transfer. A model, , was proposed to predict the effect of pH and gave good agreement with the experimental data for the two contactors. The relationship between viscosities and the mass transfer coefficient could be described by . Based on our experiments, the change of the viscosities in the concentration range of ammonia from 50 to 10,000 mg l⁻¹ caused about 3–4% variation of the mass transfer coefficients. Moreover, it may be more suitable to use the equilibrium concentrations of volatile species instead of the total concentrations of VCs to estimate mass transfer coefficients, removal efficiency and flux. Experimental results also revealed that the choice of the pH of feed might be one of the most crucial factors for removing easily ionized VCs, such as ammonia, from water and wastewater.     

High-efficiency, environment-friendly electroluminescent polymers with stable high work function metal as a cathode: green- and yellow-emitting conjugated polyfluorene polyelectrolytes and their neutral precursors

A series of aminoalkyl-substituted polyfluorene copolymers with benzothiadiazole (BTDZ) of different content were synthesized by Suzuki coupling reaction, and their quaternized ammonium polyelectrolyte derivatives were obtained through a postpolymerization treatment on the terminal amino groups. Copolymers are soluble in environmentally friendlier solvents, such as alcohols. It was found that the efficient energy transfer occurs by exciton trapping on the narrow band gap BTDZ site under UV illumination. Only 1% of BTDZ content is needed to completely quench a fluorene emission for both the neutral and the quaternized copolymers in the neat film. Absolute PL efficiencies of copolymer films were greatly enhanced as a result of the suppression of excimer formation. Light-emitting devices fabricated from these copolymers show high external quantum efficiencies over 3% and 1% for the neutral precursor and the quaternized copolymers, respectively, with high work function metals such as Al as a cathode. To the best of our knowledge, this is the first report on an electroluminescent polymer which bears the high EL efficiency, the electron-injection ability from high work function metals, and the solubility in environment-friendly solvents at the same time. These features make them a promising candidate for the next generation of light-emitting copolymers in PLED flat panel display application.     

Determination of acetone, hexanal and heptanal in blood samples by derivatization with pentafluorobenzyl hydroxylamine followed by headspace single-drop microextraction and gas chromatography–mass spectrometry

In the study, we developed a simple, rapid, sensitive, and inexpensive method for determination of the disease biomarkers of acetone, hexanal and heptanal in human blood. For the first time, derivatization of carbonyls with O-2,3,4,5,6-(pentafluorobenzyl)hydroxylamine (PFBHA) was combined with headspace single-drop microextractin (HS-SDME) and gas chromatography-mass spectrometry (GC–MS) and applied to the analysis of acetone, hexanal, and heptanal in human blood. At first, acetone, hexanal and heptanal in blood were derivatized with PFBHA and formed oximes in several seconds. Sequentially, the oximes were headspace extracted and concentrated by a microdrop solvent. Finally, the extracted oximes were analyzed by GC–MS. HS-SDME conditions and method validations were studied. Due to needing of only 2 μl organic solvent, short extraction time of 8 min, and simple operation, derivatization-HS-SDME was shown to be a rapid, simple, and inexpensive technique for analysis of acetone, hexanal, and heptanal in human blood. Moreover, it had low detection limit values from 0.24 to 0.62 nM, and good reproducibility (R.S.D. less than 12%).