热致液晶共聚酯／Nylon－1010共混物的研究

利用偏光显微镜（ＰＬＭ），差示扫描量热计及广角Ｘ－射线衍射等手段研究了热致液晶共聚酯／Ｎｙｌｏｎ－１０１０共混体系．发现当热致液晶共聚酯（ＨＴＨ１０）含量达到３０％时共混物微结构与纯ＨＴＨ１０相似．尼龙－１０１０的结晶度先是随ＨＴＨ１０含量增加而增加，随后又随之下降，但其结晶温度却随ＨＴＨ１０加入而单调下降，共混物的熔融热焓△Ｈｍ在ＨＴＨ１０含量为３０％时与计算值有较大的偏差，广角Ｘ－射线衍射结果表明，此时共混物结构发生了较为明显的变化，两组份之间在此时存在一定的相互作用．     

热致性液晶聚酯酰亚胺高分子的合成

本文以己二胺，癸二胺和对－亚苯基－双苯偏三酸酯二酐为单体通过溶液聚合反应制备了聚酯酰亚胺系列共聚物．采用ＩＲ，ＷＡＸＤ，ＤＳＣ和偏光显微镜研究了共聚物的结构和液晶性能，结果表明，聚合物具有热致液晶性，且随二胺单体摩尔组成的变化，共聚物的熔点Ｔｍｌ和玻璃化转变温度Ｔ８呈规律性变化．     

二苯并三氧二氮穴醚及其Na(Ⅰ)、Cu(Ⅱ)和Co(Ⅱ)配合物的合成与表征

自从1969年Lchn等合成穴醚[2,2,2]似来.人们对穴醚的研究越来越感到兴趣.由于空腔效应,穴醚具有很强的配位能力和较高的选择性,它对于研究无机离子在生物体内的传输过程具有重要的意义,而且有可能用于离子的识别和分离.     

信息拓扑指数与烷烃分子热力学性质的关系

Two topological information indices were constructed based on Randic and Wiener indices, and the values of topological information indices for 85 alkanes were calculated. The thermodynamic properties such as the standard enthalpies of formation, the standard entropies and the standard free energies of formation for these alkanes were also correlated with these topological and information indices. It is found that the thermodynamic properties calculated for both gaseous and liquid states of the 85 alkanes are in excellent agreement with the experimental values through the regression analysis.     

MONTE CARLO SIMULATION ON AQUEOUS SOLUTION OF BIOLOGICAL MOLECULES——ALANINE SOLUTION

The Monte Carlo simulation is performed for a cluster consisting of a neutral alanine molecule surrounded by 56 water molecules. The average water-water and alanine-water interaction energies are found. The space surrounding the alanine molecule is divided into three regions, where the central atoms are C' atom for the earboxyl group region, N atom for the amino group region and C~β atom for the methyl group region. The water-water and water-alanine interaction energies as functions of the distance between the oxygen atom in a water molecule and the central atom in each region are calculated. In each region the orientational correlation function for the dipole moments of water molecules, the radial distribution function for the oxygen and hydrogen atoms of water molecules are evaluated. In addition, the numbers of water molecules in the first solvation shells of each region and of entire alanine molecule are also counted.     

Two-dimensional electron gas characteristics of InP-based high electron mobility transistor terahertz detector

The samples of In_xGa_(1-x)As/In_(0.52)Al_(0.48)As two-dimensional electron gas(2DEG)are grown by molecular beam epitaxy(MBE).In the sample preparation process,the In content and spacer layer thickness are changed and two kinds of methods,i.e.,contrast body doping andδ-doping are used.The samples are analyzed by the Hall measurements at 300 Kand 77 K.The In_xGa_(1-x)As/In_(0.52)Al_(0.48)As 2DEG channel structures with mobilities as high as 10289 cm~2/V·s(300 K)and42040 cm~2/V·s(77 K)are obtained,and the values of carrier concentration(Nc)are 3.465×10~(12)/cm~2and 2.502×10~(12)/cm~2,respectively.The THz response rates of In P-based high electron mobility transistor(HEMT)structures with different gate lengths at 300 K and 77 K temperatures are calculated based on the shallow water wave instability theory.The results provide a reference for the research and preparation of In P-based HEMT THz detectors.     

方差可能无穷的“中度偏离”单位根过程的复合分位数估计

考虑一类"中度偏离"单位根过程,y_t=q_ny_t-1+u_t,其中qn=1+c/(k_n),k_n=o(n),c为一非零常数,{u_t}为随机扰动项序列.在允许扰动项方差无穷的条件下,构造q_n的复合分位数估计,并得到了该估计的渐近分布.最后通过数值模拟,在扰动项服从t(2)分布下,说明了该估计的稳健和有效性.     

氰根桥联FeⅢ-CuⅡ一维配合物{[Fe(1-CH3im)(CN)4(μ-CN)Cu(cyclam)]·H2O}n的合成、结构及磁性研究

基于构筑单元K2[Fe(1-CH3im)(CN)5]和[Cu(cyclam)](ClO4)2,合成了一个氰根桥联FeⅢ-CuⅡ中性一维化合物{[Fe(1-CH3im)(CN)4(μ-CN)Cu(cyclam)]·H2O}n(1-CH3im=1-甲基咪唑;cyclam=1,4,8,11-四氮杂环十四烷)(1),并通过X-射线单晶分析表征其结构特征。结果表明:化合物(1)是由氰根桥联的杂金属组成的聚合物,其结构属于三斜晶系,P1空间群,a=0.832 56(17)nm,b=0.899 38(18)nm,c=0.998 3(2)nm,α=111.94(3)°,β=95.06(3)°,γ=116.90(3)°,V=0.587 7(2)nm3,Z=1,Dc=1.554 g·cm-3,μ=1.558 mm-1,F(000)=286,R1=0.051 9,wR2=0.135 3。磁性研究表明:配合物1中CuⅡ和低自旋的FeⅢ离子之间存在弱的铁磁耦合作用。     

不饱和烃的理化性质与分子拓扑指数的关系研究

定义并分别求算了不饱和烃(烯烃、炔烃、烷基苯)的价键连通性指数和价键信息拓扑指数, 将拓扑指数分别与这些物质的标准生成热、标准熵、标准生成自由能等一系列理化性质相关联, 用计算机回归方法确定了不同性质的最佳函数形式。回归的复相关系数和重新计算的误差结果显示拓扑指数与理化性质具有优良的相关性。     

一种新二肟的合成及其电化学行为

修饰电极;一种新二肟的合成及其电化学行为