B-Spline with Symplectic Algorithm Method for Solution of Time-Dependent Schrodinger Equations

A B-spline with the symplectic algorithm method for the solution of time-dependent Schrodinger equations （TDSEs） is introduced. The spatial part of the wavefunction is expanded by B-spline and the time evolution is given in a symplectic scheme. This method allows us to obtain a highly accurate and stable solution of TDSEs. The effectiveness and efficiency of this method is demonstrated by the high-order harmonic spectra of one-dimensional atoms in comparison with other references.     

还原温度对超细K－Co－Mo催化剂合成低碳醇性能的影响

 用溶胶－凝胶法合成了K－Co－Mo催化剂．样品经不同温度还原后，用于低碳醇的合成．XRD和HRTEM结果表明，样品是超细粒子，粒子尺寸为2～5nm．考察了催化剂的还原温度和反应条件对催化剂性能的影响．实验结果表明，还原温度对催化剂的活性有较大的影响，最佳还原温度为500℃．最佳反应温度范围为310～330℃．升高压力和空速可以提高醇的收率和选择性．在空速14400h－1，压力6．0MPa和温度310℃的条件下，醇的选择性为55．8％，收率为520．0g／（kg·h），MeOH／C2＋OH为0．27．催化剂稳定性良好，在200h的寿命实验中，活性基本不变．与文献中催化剂相比，超细K－Co－Mo催化剂对合成醇具有较高的活性和选择性，尤其是对C2＋OH的合成明显高于其他合成醇催化剂体系．     

非晶态合金催化剂用于二甲基紫脲酸加氢反应

二甲基紫脲酸加氢反应;nicob/白炭黑催化剂;非晶态合金催化剂     

一种新型联萘基旋光共轭聚合物的圆二色谱和圆偏振荧光光谱

众所周知 ,聚合物的光电性质依赖于聚合物链的构象和 (或 )组成 ,通过在聚合物上引入手性单元 ,采用圆二色谱 ( CD)和圆偏振荧光光谱 ( CPL)等方法可表征聚合物结构 [1] .近年来 ,由于圆偏振光可用作光数据存储和液晶显示器背景光 [2 ] ,人们开始注重共轭聚合物圆偏振光材料的研究 .共轭聚合物的光致和电致圆偏振光的现象由一种带手性侧链的聚噻吩[3 ] 和一种带手性侧链的聚 (对苯撑乙烯 ) [4 ]产生 ,但它们的圆偏振荧光度 (用不对称因子 glum=2 ( IL-IR) / ( IL+IR)表示 ,IL 和 IR 分别指左圆偏振光强度和右圆偏振光强度 )相对较低 …     

POLYURETHANE-POLYSTYRENE INTERPENETRATING NETWORKS

A series of polyurethane based on liquid chloroprene-hydroxyethyl methacrylate copolymer(CP-co-HEMA)-polystyrene (PS) interpenetrating polymer networks (PU-PS IPN) were synthe-sized. Some physical properties were examined and density behavior was investigated. In 60%polyurethane (PU) system, the tensile strength and density increased greatly. Transmission electronmicrographs showed that the phase separation existed and the sizes of PS domains dispersed in PUphase were about 500-4,000 A. In comparison with correlative PU-PMMA IPN system, whichhas the higher compatibility, this system showed an extensive phase separation and clear boundaries.There was no phase inversion observed even for 60% PU system in which PS was still the dispersed phaseand PU the continuous phase. This was due to the relatively faster rate of formation of PU than thatof ST polymerization.     

TiCl4-Cr还原偶联活泼卤化物及芳醛、芳酮的研究

低价钛化合物在有机合成和有机反应中有着广泛的应用。我们曾研究了低价钛对α,α,α-三卤甲基苯的脱卤偶联、对2,2-二芳     

Knoevenagel缩合反应研究的新进展

综述了近年来Knoevenagel缩合反应研究的新进展, 包括微波、超声波、固相合成、离子液体等新技术新试剂在该反应中的应用.     

Studies on Aggregation Interaction between Reduced Denatured Egg White Lysozymes during Refolding Procedure in Urea Solution

The aggregation interaction between reduced-denatured egg white lysozymes during refolding procedure in urea solution was studied by means of reducing and non-reducing protein electrophoreses. Results of non-reducing sodium dodecyl sulphate polyacrylamide gel electrophoresis （SDS-PAGE） of the supernatant and aggregate precipitate formed in refolding process show that except being refolded to native egg white lysozymes, the reduced-denatured lysozymes can also form the aggregates with molecular weights （MW） being separately about 30.0 and 35.0 kD, while the reducing SDS-PAGE and the refolding results in the presence of sodium dodecyl sulphate show that these aggregates are formed chiefly through the misconnection of disulfide bonds between the reduced-denatured lysozymes, and the aggregate precipitates are formed through the non-covalent interactions between the aggregates with molecular weight being about 30.0 kD. From the results of electrophoresis and size-exclusion chromatographic analyses, it can be inferred that the aggregates with molecular weights being about 30.0 and 35.0 kD are bi-molecular and tri-molecular egg white lysozyme aggregates, respectively. And finally, a suggested refolding mechanism of reduced-denatured egg white lysozymes in urea solution was presented.     

含铅聚合物微凝胶与硫化氢反应前后在良溶剂中的分子扩散行为

用溶液聚合法制备出轻度交联的含铅微凝胶,用光子相关光谱技术测定其在良溶剂中与H2S反应前、后的扩散行为,由外推法得到在浓度无限稀时的分子扩散系数,给出微凝胶的流体力学半径。结果表明:相同量的含铅微凝胶在不同的初始浓度下与H2S反应,生成含PbS纳米微粒的凝胶；但其体积增大不同,这说明H2S与含铅微凝胶的反应既可以在分子内也可以在分子间进行,分子间的反应使含硫化铅微凝胶扩散系数随浓度的变化曲线的线性范围变小。     

超声辐射下金属锰诱发芳香醛的还原偶联

在超声辐射下，Mn-NH4Cl-THF：H2O(1：4，V：V)或Mn-MnCl2-THF:H2O(1：4， V：V)体系中，于室温2-3h内可使芳香醛还原偶联成邻二醇，收率为30％-95％．与 传统方法相比，反应时间缩短，还原剂用量降低，产品收率提高．