Salt effect on molecular orientation at air/liquid methanol interface

The salt effects on molecular orientation at air/liquid methanol interface were investigated by the polarization-dependent sum frequency generation vibrational spectroscopy(SFG-VS). We clarified that the average tilting angle of the methyl group to be u = 308 58 at the air/pure methanol surface assuming a d-function orientational distribution. Upon the addition of 3 mol/L Na I, the methyl group tilts further away from the surface normal with a new u = 418 38. This orientational change does not explain the enhancement of the SFG-VS intensities when adding Na I, implying the number density of the methanol molecules with a net polar ordering in the surface region also changed with the Na I concentrations. These spectroscopic findings shed new light on the salt effects on the surfaces structures of the polar organic solutions. It was also shown that the accurate determination of the bulk refractive indices and Raman depolarization ratios for different salt concentrations is crucial to quantitatively interpret the SFG-VS data.     

Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy

Understanding and control of the surface properties such as molecular orientations are of great importance in numerous applications of ionic liquids. However, there remain discrepancies among the previous experimental and theoretical studies on the surface orientation and structures of room temperature ionic liquids(RTIL) systems. In this article, the orientation of 1-butyl-3-methylimidazolium([bmin]) cation at the air/liquid interface of a characteristic RTIL, 1-butyl-3-methylimidazolium hexafluorophosphate([bmim][PF6]), was investigated by the sum frequency generation vibrational spectroscopy(SFG-VS). Detailed polarization and experimental configuration analyses of the SFG-VS spectra showed the possibility of a small spectral splitting in the CH3 symmetric stretching region, which can be further attributed to the probable existence of multiple orientations for the interfacial [bmim] cations. In addition, the(N)–CH3 vibrations were absent, ruling out the prediction by several recent molecular dynamics simulations which state that portions of the [bmim] cations orient with a standing-up(N)–CH3 group at the ionic liquid surface. Hence, new realistic theoretical models have to be developed to reflect the complex nature of the ionic liquid surface.     

Chemical equilibrium controlled synthesis of polyoxymethylene dimethyl ethers over sulfated titania

The chemical equilibrium and reaction kinetic behavior in the synthesis of polyoxymethylene dimethyl ethers(DMMn) were investigated over sulfated titania in order to reveal the decisive factor controlling the reaction. The results showed that the molar ratio of adjacent DMMn products in equilibrium solution had the same value, which depended absolutely on the reaction temperature. Meanwhile, the reactions had the same DMMn products distributions under varied reaction conditions. The equilibrium constants of the related step-wise reactions for DMMn formation were equal, which were calculated based on the bulk compositions of the reaction solution. And thus, the selectivity to DMMn was mainly controlled by the chemical equilibrium, i.e., thermodynamic control. In brief, the present results provide some guidance for future synthesis of DMMn.     

Direct synthesis of propylene carbonate from propylene and carbon dioxide catalyzed by quaternary ammonium heteropolyphosphatotungstate–TBAB system

In this paper,we have developed a highly efficient method for the direct preparation of propylene carbonate from propylene and carbon dioxide(CO2) using quaternary ammonium heteropolyphosphatotungstate–quaternary ammonium halide catalytic system with anhydrous hydrogen peroxide as an oxidant through one-pot two-step process.The effects of the amount of tetrabutylammonium bromide(TBAB),the concentration of hydrogen peroxide and other reaction conditions were investigated.The catalyst system gave an optimum propylene oxide yield(91%) at75°C in oxidation step and the highest propylene carbonate yield(99%) at 140°C and 3.0 MPa in cycloaddition step.Based on the results,a reaction mechanism has been proposed.     

用曲线大窗口平滑散斑条纹图的方法研究

提出一种计算条纹方向的简单算法,以及通过条纹方向图获得沿条纹方向的曲线窗口并对散斑条纹图进行曲线大窗口滤波的方法．实验表明此方法较好地消除了散斑条纹图的噪声,同时尽量减小了对条纹结构的损害．为从单幅散斑条纹图中应用条纹中心线法或全灰度法进一步提取相位场的后处理,奠定了良好的基础．     

EFFECTS OF FINELY DISPERSED METALLIC PALLADIUM ON MICROSTRUCTURE AND PROPERTIES OF NANOCOMPOSITES PRODUCED BY SOL-GEL TECHNIQUE

Nanosized palladium particles were incorporated into mesoporous silica matrix to obtain nanocomposites using the sol-gel technique. Effects of the finely dispersed metallic palladium on the microstructure and properties of the nanocomposites were investigated. By means of X-ray diffraction and optical absorption, it was found that palladium particles were 5-9 nm in diameter and their uniform dispersion in the mesoporous silica depended on both the content of the palladium and the structural features of the silica matrix. The results showed that the mixing method of preparation led to wider size distribution of the nanosized particles as compared to the immersion method, but dispersed degree was reduced. Although the incorporation of nanosized palladium particles could not substantially induce significant structural changes of the matrix, the apparent red-shifted optical absorptions for the nanocomposites were observed as compared to the parent monolithic silica, particularly with increase in palladium loading and calcination temperature.     

基于拓扑描述函数的连续体结构拓扑优化方法

提出了一种利用拓扑描述函数(TDF)作为拓扑设计变量求解连续体结构拓扑优化问题 的新方法. 优化问题的目标函数是结构的整体柔顺性，约束条件为对于可利用材料的体积限 制. 这种方法不仅可以消除拓扑优化中经常出现的棋盘格式等数值不稳定现象，而且能够有 效地抑制传统算法处理此类优化问题时所引发的边界扩散效应. 与其它的基于水平集描述函 数的拓扑优化方法相比，所提出的算法不仅无需求解控制水平集函数演化的双曲守恒方 程，而且合理地考虑了目标函数的拓扑导数信息，因而使得算法的计算效率有了显著的提高.     

SYNTHESIS AND CHARACTERIZATION OF SURFACE-HYPERBRANCHED MAGNETITE NANOPARTICLE FOR BOVINE SERUM ALBUMIN IMMOBILIZATION

A hyperbranched polyamidoamine polymer was synthesized on the surface of magnetite nanoparticles to enhance bovine serum albumin (BSA) immobilization efficiency. The amount of immobilized bovine serum albumin (BSA) on the surface-hyperbranched magnetite nanoparticle was up to 2.5 times as much as that of magnetite nanoparticle modified with only amino silane.     

直流射频等离子体增强化学气相沉积类金刚石碳薄膜的结构及摩擦学性能研究

利用直流射频等离子增强化学气相沉积技术在单晶硅表面制备了类金刚石碳薄膜．采用Raman光谱、红外光谱、x射线光电子能谱和原子力显微镜等研究了薄膜的微观结构和表面形貌,在UMT-2MT型摩擦磨损试验机上考察了薄膜在不同载荷与滑动速度下的摩擦学性能。结果表明：所制备的类金刚石碳薄膜具有典型的类金刚石结构特征,薄膜均匀、致密,表面粗糙度小,硬度较高;薄膜与Si3N4陶瓷球对摩时显示出良好的抗磨减摩性能;随着试验载荷与滑动速度的提高,薄膜的摩擦系数降低,耐磨寿命降低;薄膜的减摩抗磨性能同其在Si3N4陶瓷球偶件磨损表面形成的转移膜相关。     

EFFECT OF POLYETHYLENEIMINE ON THE PROPERTIES OF CONCENTRATED SUSPENSIONS OF TITANIUM DIOXIDE MICROBEADS

The effect of polyethyleneimine (PEI) concentration on the properties of titanium dioxide (TiO2) suspensions is studied with or without the addition of an electrolyte (barium acetate). Measurements of the apparent viscosity and the stability of TiO2 suspensions showed that PEI is an effective dispersant for TiO2 particles in suspension in the absence of an electrolyte, not only reducing the viscosity of the suspension but also increasing its stability. In the presence of an electrolyte, however, small quantities of polyethyleneimine could neither disperse the TiO2 particles nor de-crease the viscosity of the TiO2 suspensions; only PEI concentrations beyond saturation adsorption could perceptively improve the stabilitv of TiO2 suspensions.