Electronic structure, chemical bond and thermal stability of hydrogen absorber Li2MgN2H2

The lowest total energy crystal structure of Li₂MgN₂H₂ was identified by the first principle calculation with RPBE exchange-correlation function. Furthermore, the fine structure parameters of this crystal structure were calculated with PBE and PW91 exchange-correlation function. In a further step, the density of states, electron density, charge density difference on (0 0 1) plane and heat of formation of Li₂MgN₂H₂ hydrogenation were computed with PW91 exchange-correlation function. Consequently, the electronic structures and chemical bonds in this compound were analyzed and discussed, and then the thermodynamic character of Li₂MgN₂H₂ for hydrogen storage was evacuated.     

IL-8-induced L-selectin shedding regulates its binding kinetics to PSGL-1

L-selectin plays a crucial role in inflammation cascade by initiating the tethering and rolling of leukocytes on endothelium wall. While many L-selectin molecules are rapidly shed from the cell surface upon activation, the remaining membrane-anchored L-selectin may still play an important role in regulating leukocyte rolling and adhesion with different binding kinetics. Here we developed an in vitro model to activate Jurkat cells via interlukin-8 （IL-8） and quantified the two-dimensional （2D） binding kinetics, using a micropipette aspiration assay, of membrane-anchored L-selectin to P-selectin glycoprotein ligand 1 （PSGL-1） ligand coupled onto human red blood cells （RBCs）. The data indicated that L-selectin shedding reduced the amount of membrane-anchored L-selectin and lowered both its reverse and forward rates. These results suggested that the rolling dynamics of activated leukocytes was determined by two opposite impacts： reducing the surface presentation would enhance the rolling but lowering the kinetic rates would decrease the rolling. This finding provides a new insight into understanding how L-selectin shedding regulates leukocyte rolling and adhesion.     

Influence of contaminations on combustion kinetics in hydrogen-fueled engine

In this work, we investigate the combustion of hydrogen fuel through the wind tunnel tests. Two kinds of fuel, the pure hydrogen and the hydrogen-ethene mixture, have been chosen to heat the oxygen-enriched air. It is found that the stable pressure in the engine combustor and the thrusts is almost the same in two cases. A valuable feature we revealed is that the heating pattern of hydrogen and ethene mixture leads to a considerable delay of the establishment of the wall pressure in the combustor, compared with the pure hydrogen case. This phenomenon implies a longer ignition delay time for the mixture case. The shorter ignition delay resulting from the hydrogen heater is attributed to the continuity of chain propagation and the exclusion of the less active C-containing radicals.     

边界参数对HCCI发动机燃烧影响的模拟研究

为了研究边界参数对柴油均质压燃(HCCI)发动机燃烧过程的影响,应用CHEMKIN化学动力学软件包中的SENKIN程序以及正庚烷(n-heptane)氧化反应简化模型,模拟了不同进气温度、进气压力和当量比等边界参数对HCCI发动机燃烧及排放特性的影响.结果表明,在相同当量比条件下,增压可以拓宽HCCI发动机负荷工况范围,同时保持氮氧化物排放基本不变;过浓或过稀的混合气导致CO排放增加;混合气浓度分层增加NO排放.     

傅鹰化学教育思想初探

从5个方面探讨著名化学家傅鹰的化学教育思想,并指出其对当今化学教育的影响和作用,认为这对于拓宽视野、深化高等化学教育改革具有重要的理论价值和实践意义．     

银纳米粒子在聚苯乙烯球表面的异相成核与生长

采用原位化学还原法,将银纳米颗粒直接沉积到没有进行任何活化处理的聚苯乙烯（Polysty-rene,PS）亚微米球的表面.运用X射线衍射（XRD）、透射电子显微观察（TEM）和X射线能谱（EDS）等分析手段对产物的成分、形态、尺寸、以及分布等特征进行了详细表征.结果表明,产物为大量均匀的PS-Ag复合粒子,银纳米粒子以带状为主,并沿着球形基体的弧形表面不连续分布.高分辨电子显微分析（HRTEM）表明,银粒子均为结晶度较高的单晶,它们与非晶PS球形基体之间结合的很好,这应归因于银在基体表面的异相成核及沿着与球面切向方向的生长.此外,研究了反应物浓度、温度等因素对银纳米粒子在PS球表面沉积的影响.根据实验结果,详细探讨了原位化学还原过程中银纳米粒子在非晶PS球表面的异相成核与生长的机理.     

地胆草化学成分的研究

采用硅胶、葡聚糖凝胶Sephadex LH-20和十八烷基硅烷键合硅胶(ODS)等多种色谱技术,对地胆草根部的化学成分进行分离纯化,从地胆草醇提物的乙酸乙酯萃取部位中分离了9个化合物,通过理化性质和波谱数据鉴定化合物1-9的化学结构分别为:大黄素甲醚(1),异香草酸(2),香豆酸(3),对羟基苯甲酸(4),阿魏酸(5),3-甲氧基-4-羟基-桂皮醛(6),豆甾醇-3-O-β-D-葡萄糖(7),豆甾醇(8),吲唑(9).化合物1、2、4、5.6、9为首次从该种植物中分离得到,其中化合物9为一新的天然产物.     

单晶硅片化学机械抛光材料去除特性

根据化学机械抛光(CMP)过程中硅片表面材料的磨损行为,建立了硅片CMP时的材料去除率模型,设计了不同成分的抛光液并进行了材料去除率实验,得出了机械、化学及其交互作用所引起的材料去除率.结果表明,磨粒的机械作用是化学机械抛光中的主要机械作用,磨粒的机械作用与抛光液的化学作用交互引起的材料去除率是主要的材料去除率.     

CO在Cu-Mn催化剂上催化氧化本征反应动力学研究

本文采用共沉淀法制备了用于低温CO催化氧化的Cu-Mn催化剂,对其进行了XRD分析和SEM表征,结果表明非晶态催化剂在室温下显示出良好的氧化活性。在50～80℃范围内研究了CO在所制备Cu-Mn催化剂床层上的催化氧化本征反应动力学,同时测定了CO在Cu-Mn催化剂上的催化反应等温线。结果表明,CO在Cu-Mn催化剂床层上的本征反应是一个表面反应控制的一级催化反应,反应的活化能是43.0kJ.mol-1。