高分子气体分离膜材料的化学结构与气体透过性能之间的关系

本文以硅橡胶和聚酰亚胺为基础,从高分子的化学组成、分子链段的运动能力、侧基的大小及其作用等几个方面,讨论了聚合物的化学结构对其均质膜的气体选择透过性能的影响,以溶解扩散过程对气体分离膜材料的透气行为进行了剖析,井简述高分子化学结构对其成膜时结晶情况的影响及对气体透过的作用;还概述了气体分离膜科学发展的历史以及基本原理.     

Complete pi-facial diastereoselectivity in Diels-Alder reactions of dissymmetric 2,4-cyclohexadienones

[reaction: see text] The studies in the Diels-Alder reactions of 5-methoxy-masked o-benzoquinone (1a, R = OMe) and simple dissymmetric 2,4-cyclohexadienones 1b-e with methyl vinyl ketone, styrene, and benzyl vinyl ether are described. The dienones 1b-e reacted with dienophiles to form syn adducts (dienophile approach is syn to allylic methoxy group) exclusively.     

On the magnetic alignment of metal ions in a DNA-mimic double helix

We computed by spin-polarized DFT the structure and the electronic properties of an infinite periodic wire constituted of planar Cu-bridged hydroxypyridone chelator base pairs and of a similarly stacked finite dimer. The Cu centers undergo electronic hybridization with the bases. There is an unpaired spin per plane, and the majority-spins manifest ordering: The ferromagnetic and antiferromagnetic phases are energetically degenerate. The total magnetization of the ferromagnetic wire depends linearly on the number of planes in the stack. The combination of interplane spin coupling and intraplane metal-hydroxypyridone coupling makes this system very appealing for electronic and magnetic device exploitation.     

测定晶体结构的系统试差法的研究(II)系统位相超解方程得改进

本文证明了|E(k)E(h-k)|的大小是由结构决定的。与原点无关, 在这种认识的基础上, 提出了用归一化结构振幅|E|估量它的三种模式。特别是通过四位相结构不变量的二级Noighborhood~[1,2]原理解决三位相不变量间的匹配问题而算出的|E(k)E(h-k)|_(QE), 这是在没有位相数据的情况下对它的理想的估量。予期它能改进系统试差法中位相超解方程的功能, 提高测得位相的准确性。     

Low-temperature orientationally ordered structures of two-dimensional C60

Orientationally ordered structures of two-dimensional (2D) C(60) at low temperature have been investigated theoretically and experimentally. Using total energy optimization with a phenomenological potential, we find the ground state is a close packed hexagonal lattice in which all the molecules have the same orientation. Several local minima of the potential energy surface are found to be associated with other 1 x 1 lattices as well as 2 x 2 lattices. The energies of the orientational domain boundaries of the 1x1 lattices are also computed, and two kinds of which yield negative values. A majority of these theoretical findings are confirmed by our low-temperature scanning tunneling microscopy study of a 2D C(60) array supported on a self-assembled monolayer.     

用L-脯氨酸衍生物作为手性流动相添加剂拆分对映异构体

用自制的N-十二酰基-L-脯氨酸和N-十二酰基-L-脯氨酸-3，5-二甲基苯胺两种L-脯氨酸衍生物作手性流动相添加剂，在氨丙基硅烷化硅胶柱上，用正己烷／异丙醇作流动相，对多种手性化合物进行了高效液相色谱拆分。实验结果表明：用N-十二酰基-L-脯氨酸作添加剂拆分的12种手性化合物，有8种手性化合物能得到拆分，具有较好的手性选择性。虽然用N-十二酰基-L-脯氨酸-3，5-二甲基苯胺作添加剂，手性选择性也较好，但由于含有苯环，紫外吸收增强，基线波动严重。     

人工神经元网络辅助丙烷氨氧化催化剂设计

报道了利用人工神经元网络辅助丙烷氨氧化制丙烯腈催化剂设计的研究进展结果．通过筛选得到了可以拟合该反应体系的神经元网络模型，从而使丙烷转化率和丙烯腈选择性可以表示为催化剂组成的函数，利用培训后的神经元网络模型所得到的权值文件，结合作者自编的优化程序，该网络可用于预测最优的催化剂组成．实验得到丙烯腈收率和选择性可分别达到４３．０％和５６．２４％．     

Characterization of the Effects of Vanadium Traps in Cracking Catalysts by Imaging Secondary Ion Mass Spectrometry and Microactivity Test

The vanadium trapping effect of Mg and La containing additives in cracking catalyst contaminated with 2300 ppm Ni and 4700 ppm V has been analyzed by microactivity test (MAT) and imaging secondary ion mass spectrometry (SIMS). The results of SIMS imaging are consistent with cracking activity data and show that the La/spinel is a superior vanadium trap for the fluid catalytic cracking of hydrocarbons (FCC) operation. La/spinel serves as a dual function additive for both vanadium trap and SO_x removal. The optimum amount of La/spinel added to the cracking catalyst is about 15% by weight. This results in an increased catalytic activity, an increase in gasoline yield, and a decrease in coke and gas factors. The MgAl₂O₄ phase of Mg/Al₂O₃ additive is found capable of trapping vanadium while its MgO of Mg/Al₂O₃ phase can migrate to zeolite particles (the active component of the FCC catalyst) that, in turn, causes a decline in the activity of that catalyst.     

Study of Langmuir and Langmuir-Blodgett films of odorant-binding protein/amphiphile for odorant biosensors

To make ultrathin films for the fabrication of artificial olfactory systems, odorant biosensors, we have investigated mixed Langmuir and Langmuir-Blodgett films of odorant-binding protein/amphiphile. Under optimized experimental conditions (phosphate buffer solution, pH 7.5, OBP-1F concentration of 4 mg L(-1), target pressure 35 mN m(-1)), the mixed monolayer at the air/water interface is very stable and has been efficiently transferred onto gold supports, which were previously functionalized by self-assembled monolayers (SAMs) with 1-octadecanethiol (ODT). Atomic force microscopy and electrochemical impedance spectroscopy were used to characterize mixed Langmuir-Blodgett (LB) films before and after contact with a specific odorant molecule, isoamyl acetate. AFM phase images show a higher contrast after contact with the odorant molecule due to the new structure of the OBP-1F/ODA LB film. Non-Faradaic electrochemical spectroscopy (EIS) is used to quantify the effect of the odorant based on the electrical properties of the OBP-1F/ODA LB film, as its resistance strongly decreases from 1.18 MOmega (before contact) to 25 kOmega (after contact).     

硼离子对铕掺杂SiO2干凝胶发光性能的影响

采用溶胶-凝胶法制备了Al单掺和B，Al共掺的Eu掺杂SiO2干凝胶。利用荧光光谱、IR，XRD，DSC，TG／DTG等技术研究了硼离子、退火温度对样品发光性质的影响。经500℃以上退火处理用248nm激发的样品，产生Eu^3＋离子^5D0→^7FJ的特征发射，^5D0→^7F1的跃迁分裂为两个峰。比较615nm处的发光强度，掺硼酸样品的发光强度是不加硼酸发光强度的3．3倍。这是因为B离子的加入，在材料中形成了Si—O—B键，破坏了网络的对称性，加强了Eu^3＋的红光发射。当退火温度上升到850℃用350nm激发时，样品有很强的Eu^2＋蓝光发射。Al单掺的发射中心在437nm处，发射半峰宽约为70nm，而B，Al共掺样品的发光中心蓝移到425nm处，单掺样品的蓝光强度几乎是共掺样品强度的2倍。这是由于硼酸的加入改变了基质的网络结构，从而导致单掺和共掺样品发射峰位和强度的改变。