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。     

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.     

一种新型有机非线性光学材料的光折效应及其产生机理

本文介绍了一种新近研制的光折聚合物。实验表明，除去吸收和反射，入射光束经聚合物后的第一布拉格衍射效率高达８６％，材料也显示出双光束耦合的净增益高于２４０ｃｍ＾－１。这些结果表明，这种新型研制的光折聚合物材料是替代无机光折晶体的实用材料。     

应用于矿井LED电子显示牌的点阵式绘图软件设计

针对矿井LED电子显示牌采用矢量图技术绘图存在的图形绘制不精确、可视性差等问题,提出一种可应用于不同型号电子显示牌的点阵式绘图软件设计方案,介绍了该软件的总体设计及BMP图像的灰度化步骤。点阵式绘图软件基于组件的设计理念,实现了所见即所得的绘图功能、文字点阵转换功能、BMP图片导入/转换功能、ICO图标导入/导出功能、模拟显示功能及对外通用接口功能。比较发现,采用点阵式绘图软件绘制的原始图形及实际显示效果均明显好于采用矢量图技术绘制的图形。     

视觉测量中多光学靶点亮度自适应控制

提出了一种面向大视场高精度视觉测量的多红外目标靶点（红外LED）亮度自适应控制方法。以微控制器PIC16F873A和LED驱动芯片MAX6964作为核心器件,设计了可满足大空间范围内靶点亮度控制需求的多目标靶点控制驱动器。为了使LED在近距测量时的调节精度和远近距离测量时的发光亮度都能满足要求,根据MAX6964输出特点设计了PWM信号输出电路,并采用推挽电路驱动LED。实验证明,目标靶点在CCD相机上成像光斑稳定一致。     

Wide gamut LCD using locally dimmable four‐primary‐color LED backlight

This paper proposes a wide gamut LCD using locally dimmable four‐primary‐color (4PC) LED backlight. Although the color gamut of LCDs has been improved in recent years, it is insufficient to reproduce all the colors in the real world. The objective of this paper is to propose a wide gamut LCD that reproduces all the colors in the real world while keeping the cost increases to a minimum. We evaluated the color gamut reproduced by LEDs of multiple primary colors and selected cyan as the optimal color to be added to the three primary colors to reproduce all the colors in the real world. Therefore, we designed an LED backlight consisting of an additional only‐cyan LED with three‐primary‐color LEDs and developed a prototype LCD with 4PC LED backlight. Furthermore, we developed a local dimming algorithm for the 4PC LED backlight. As a result, we confirmed that the prototype LCD with the 4PC LED backlight is able to cover almost all the colors in the real world and also able to display natural images with highly saturated colors by local dimming.     

NH4SCN从ROH-CTMAB-C12H26载金有机相中反萃金

研究了硫氰酸铵（NH4SCN）从混合醇（ROH）－十六烷基三甲基溴化铵（CTMAB）－正十二烷（C12H26）载金有机相中反萃金，考察了平衡时间，PH值，反萃剂浓度，温度等因素对反萃率的影响及有机相的循环使用，绘制了反萃等温曲线，结果表明，NH4SCN对金具有较高反萃率，可顺利实现金的反萃。     

饮用水中天然有机物的分析与表征方法

天然有机物(NOM)是一类分布广泛、成分复杂的有机混合物,可严重影响饮用水的处理效率,并可能对出水水质产生严重的不利影响。因此,为了改进和优化饮用水的处理过程,在研究和实际应用阶段对NOM进行表征和定量以了解其结构特性和反应性具有重要意义。文中先对NOM的富集方法进行了介绍,接着梳理了不同分离方法的依据及作用,最后总结了各类表征方法的原理及应用,以期有助于对NOM和饮用水处理的深入研究。     

用于LED光源的反光杯准直效果研究

为研究抛物面型反光杯用于LED光源准直时的特点,基于TracePro仿真了LED光源在不同尺寸反光杯下的有效射程和光斑直径,分析了反光杯和LED尺寸对射程和光斑直径的影响。仿真结果表明:射程与反光杯的口径和深度都有关系。高度相同时,反光杯口径越大,射程越大;口径相同时,射程随反光杯高度增加先增大后减小。LED光源经反光杯准直,较短距离的光斑中心光强很低,形成光环。LED光源面积直接影响目标面光斑的大小,对射程影响较小。