基于VolSurf参数的化合物水溶性QSPR分析

利用分子的VolSurf参数预测化合物的水溶解度并阐明有利于水溶解度的主要分子结构特征.被测化合物包括185个共两大系列分子,使用偏最小二乘判别分析和多元线性回归方法在实验数据和分子特征之间建立相关性,均得到较好的结果.以70个化合物所建立的训练集模型对其余115个化合物有较好的预测能力.参数分析表明分子内较大的亲水区域对水溶解度有利;分子质心与疏水区、亲水区之间的不平衡性越高,水溶解度越大;分子量及体积大的分子对其水溶解度不利.     

OADM环网的实验研究

研究了光分插复用器(OADM)的关键技术,重点分析了相关的实现技术,完成了利用OADM构建全光环网的实验研究,给出了重要的实验数据,包括眼图、光谱图、光信噪比、保护与恢复等,并对这些实验数据进行了分析,为光传送网的设计与构建提供了重要的参考依据.     

Synthesis,structure, spectroscopic and magnetic properties of a novel two-dimensional copper(II) complex Na2[Cu(pba)] · 6H2O [pba = 1,3-propylenebis(oxamato)]

The copper(II) complex Na₂[Cu(pba)] · 6H₂O has been synthesized and its structure determined. It consists of a novel two-dimensional network of [Cu(pba)]^2– anions connected to each other through the sodium ion as a bridge. Spectroscopic and magnetic properties have been measured and a spin distribution calculation has been carried out with the GAUSSIAN-94. Theoretical calculations indicate the rather larger spin density on nitrogen atoms should be responsible for the satellite lines appearing beside the main hyperfine coupling signs of copper(II). The antiferromagnetic interaction may be due to the intermolecular interaction and/or different copper(II) ions through the Na⁺ bridge in the same layer.     

双无限随机环境中马氏链的瞬时性与不变函数

在随机环境中马氏链的研究领域,引入了一类π-不可约、常返和瞬时性的概念,给出了π-不可约链是瞬时链的一个充要条件,引入了双无限随机环境中马氏链不变函数的概念,讨论了它们的存在性及基本性质。最后,利用不变函数的性质,给出了π-不可约链是瞬时链的一个判别准则,此准则与不变函数有关。     

偏振分束器对光学电流传感器稳定性的影响

采用偏振光学理论,详细分析了光学电流传感器中偏振分束器消光比的变化对传感器性能的影响,得到了偏振分束器消光比与传感器输出的关系式,并用系统实验进行了验证.理论及实验结果的吻合证明了光学电流传感器稳定性直接受偏振分束器两路消光比影响的结论.     

蓝宝石R面上ZnO薄膜的NH3掺杂研究

以NH₃为掺杂源,利用金属有机化学气相沉积(MOCVD)系统在蓝宝石R面上生长出掺氮ZnO薄膜。通过XRD,SEM测量优化了其生长参数,在610℃和在80sccm的NH₃流量下生长出了〈1120〉单一取向的ZnO薄膜。经Hall电阻率测量,得知该薄膜呈现弱p型或高电阻率,并对其光电子能谱进行了研究。     

铁铝催化体系催化丙烯酸丁酯聚合

研究了Fe(acac)3-Al(i-Bu)3-8-羟基喹啉(acac=乙酰丙酮)催化体系催化丙烯酸丁酯(BA)聚合，考察了聚合规律，用凝胶渗透色谱研究了聚合物分子量和分子量分布．动力学研究表明聚合反应对单体浓度呈一级关系，表观活化能为13．9kJ／mol．     

A synthesis of the tetracyclic carboskeleton of isaindigotidione

An efficient synthesis of the unique indolizino[7,6-c]quinoline carboskeleton of isaindigotidione has been achieved. This strategy employed l-proline and isatin as the main building blocks in the construction of the framework. Four transformations occurred in a one-pot operation to furnish the tetracyclic nucleus.     

Sound velocity in alumino-silicate liquids determined up to 2550 K from Brillouin spectroscopy: glass transition and crossover temperatures

Hypersonic longitudinal sound velocities in five silicate and alumino-silicate liquids have been measured between 293 and 2550 K by Brillouin spectroscopy. Together with previous observations for four other glasses and liquids of the system SiO₂-Al₂O₃-CaO-MgO, these results are used to discuss changes in hypersonic velocities in three adjacent temperature domains, i.e., below, in, and above the glass transformation range. The temperature dependence of Brillouin velocities is consistent with the observed variations with temperature of viscosity, density, and mean heat capacity for the same three temperature domains. These variations of physical properties of alumino-silicate liquids are qualitatively in agreement with the Inherent Structure Theory for liquids.     

CFD在燃煤细粒子凝聚过程中的应用

燃煤产生的细粒子富集了大量的有毒痕量元素,对大气环境和人类健康造成严重危害。本文针对燃煤细粒子的形成过程,在计算流体力学(CFD)的基础上,结合气溶胶动力学理论,模拟了烟气中细粒子在圆柱形流场中由于碰撞而凝聚的过程,并通过计算结果分析细粒子颗粒特征参量(速度、质量、直径和颗粒数目)随流场的变化趋势,为深入研究燃煤细粒子的形成演化机理提供理论基础。