铂与氢、水和苯分子相互作用的量子化学研究

采用量子化学程序Gaussian98(A.9)从头算的B3LYP方法，全优化计算铂对氢、水和苯的化学吸附作用，得到了3种相关络合物PtX、PtXX和Ptxxx(X=H，H2O或C6H6)的平衡几何构型和电子结构信息，并探讨了这些络合物的成键性质，以及苯环与铂原子之间的分子轨道作用性质。结果表明，苯环与铂原子之间有很强的成键作用，并随着游离氢原子和水分子的参与，作用强度有很大变化。苯分子吸附在金属铂上，它的芳香性得到不同程度的降低，苯环被活化，苯环与铂原子之间形成η^2型π键络合物；水参与作用后，苯环与铂原子之间形成σ络合物；氢和水同时参与作用后，苯环与铂原子之间仅有很弱的π轨道作用。     

Study of Desorption Agent for LADS Process

This article refers to the procedure for selection, evaluation and development of the LADS-D desorption agent associated with the LADS-A adsorbent used in the non-hydroprocessing adsorptive desulfurization (LADS) process for FCC naphtha developed by LPEC Refining Research Institute. The LADS-D desorption agent can effectively remove the sulfides adsorbed on the LADS-A adsorbent. The saturated LADS-A adsorbent can be instantly regenerated by the LADS-D desorption agent to recover its adsorption activity. The LADS-D desorption agent can not only effectively remove all impurities adsorbed on the adsorbent, but also has strong ability to dissolve the impurities to keep a stable desorption efficiency of adsorbent to be basically commensurate with fresh adsorbent after extended use.     

Improvement of device performances by thin interlayer in conjugated polymers/methanofullerene plastic solar cell

Recent studies have reported that a thin interlayer between poly(3, 4-ethylene dioxythiophene)-poly(styrene sulfonic acid) (PEDOT: PSS) and an emissive polymer layer leads to a large increase in the performances of polymer light-emitting diodes (PLEDs) by preventing significant quenching of the radiative excitons at the PEDOT: PSS interface; therefore, acting as an efficient exciton-blocking layer. Using the similar idea, a thin interlayer was fabricated between PEDOT: PSS and the active layer of conjugated polymers/methanofullerene composites in a plastic solar cell. The interlayer consisted of a poly(fluorene)-based hole transporter spin-coated directly on top of the PEDOT: PSS layer. The devices with the interlayer exhibited a higher efficiency than in those without the interlayer.     

EO/EG装置生产过程中有机酸的生成原因分析

分析了环氧乙烷，乙二醇装置工艺系统中有机酸生成的原因．指出在银催化剂作用下，乙烯氧化过程有机酸生成主要成分是甲酸和乙酸，银催化剂不是影响氧化反应器出口醛含量的主要因素；杂质、温度等对反应器出口气中的醛含量有重要影响，也直接影响到装置前系统的有机酸含量；乙二醇后系统中有机酸的增加仅取决于两级吸收及解析工艺的稳定操作。     

Alkylated ureas: mineralization and evaluation as N sources

An incubation experiment was conducted for 11 weeks to study the mineralization of ten alkylated ureas and urea in soil. Six of the alkylated ureas viz. methylurea(MU), 1,3-dimethylurea(1,3DMU), 1,1-dimethylurea(1,1DMU), ethylurea(EU), 1,3-diethylurea(1,3DEU) and butylurea(BU) and urea mineralized during the experiment. Urea mineralized immediately, while alkylated ureas mineralized after an incubation period ranging from less than a week to four weeks (delay period of mineralization). The delay period increased in the following sequence MU < 1,3DMU < EU < BU < 1,1DMU < 1,3DEU, but after the delay period was over the compounds mineralized almost as rapidly as urea. The delay period varied according to the number of carbon atoms in the alkyl group and their position with respect to each other on the molecule. It appeared to be specific for each compound and was apparently not influenced by the presence of urea or other alkylated ureas. This character can be used to develop mixture of various alkylated ureas to obtain N mineralization at the desired time. Rapid evolution of CO₂ and N₂O was observed during the mineralization of urea as well as alkylated ureas. Increase in soil pH was also observed during this period. The simultaneous ocurrence of these events suggested the formation of urea as an intermediate during the mieralization of alkylated ureas. None of the alkylated ureas showed adverse affect on emergence of wheat seedlings and except DEU and BU at high concentration no other alkylated urea showed any adverse effect on initial growth of wheat seedlings.     

Sidechain liquid crystal polymers

Research has continued in the field sidechain liquid crystal polymers over recent years, but it is becoming clearer that this research is being directed away from the traditional technology areas of electro-optic devices and researchers are developing new and exciting applications for this novel state of matter.     

碳/环氧复合材料的冲击拉伸

该文研究了T300碳纤维单向增强的环氧复合材料,在应变率从10~(-3)/s到10~3/s范围内的冲击拉伸行为.通过对实验数据进行拟合,得出该范围内材料对应变率具有弱的敏感性,表现在破坏强度及破坏应变随应变率增加不显著变化,平均模量几乎不受应变率的影响.分析了试件的几何尺寸效应,讨论了应力波作用对破坏形态的影响以及实验中观察到的拔出现象.从应变率在10~2～10~3/s附近材料行为某些非确定性,指出在更宽范围内了解其性能的必要性.     

飞行器火工装置的冲击隔离结构方案实验研究

飞行器由于采用了××炸药索作为级间分离及壁板减重的火工装置，当火工品引炸时，对周围的仪器支架和脱拔插头产生高达３００００ｇ的冲击加速度。为保护仪器支架和脱拔插头，本文，总结了多种隔冲击结构方案的试验结果，选出了一种最佳方案，即二级硅橡胶缓冲器与阻尼复合结构的结合形式。该方案可使冲击加速度衰减至１６０ｇ以下。测的是周向过载。４结语粘弹阻尼复合结构用于高频响、高过载的冲击衰减系统尚是一种新的尝试。由于本课题所设计的缓冲支架采用了多级隔冲方式，冲击载荷传递的环节多，而且是三维冲击响应，载荷的波形复杂，不确定因素多，无法采用理论分析的方法进行研究。虽然如此，缓冲器的隔冲特性以及粘弹阻尼复合结构的减振性能还是可以估算的。这方面的理论问题有待于进一步研究。从试验角度而言，本次试验已解决了飞行器的仪器盒及脱拔插头的隔冲击振动问题，证明所设计的隔冲击支架满足使用要求。通过对不同支承界面联接方式的研究，选出了较佳的支承结构形式，即文中的标准状态。该结构形式隔冲击性能好，衰减倍数大，安装和更换方便，防热性能好。试验数据表明，仪器架的衰减倍数大于４００倍，脱拔插头支架大于２９０倍；在最大过载约３００００ｇ，最大响应频率约２２．４     

铁基气门导管材料性能的控制

介绍了在铁基气门导管的生产过程中,加强关键工序的质量管理,以确保产品材料性能的合格与稳定。     

Electrochemical,FTIR and morphological study of polypyrrole—Polystyrenesulphonate conducting films

The electrochemical behaviour, FTIR spectrum and the morphology of polypyrrole-polystyrenesulphonate (PPy-PSS) films obtained potentiostatically at 0.6 V in a 0.05m Py + 1.7 × 10^?2m NaPSS medium have been analysed. Different electrochemical parameters have been modified in order to establish the first polaron formation, the reversibility of the redox process and the doping mechanism. The FTIR spectrum confirms the existence of C?O groups in the film structure and two possible explanations are suggested. SEM reveals a higher homogeneity in these films than in PPy films doped with smaller counterions.