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.     

P.Turán第24个问题的肯定回答

本文给出Turán第24个问题的完全解:若Hermite-Fejer插值过程对任何都一致收敛,则定义在同一节点上的Lagrange插值过程对每个Lipα都一致收敛,其中α≈0.988。     

有限步扩散反应置限分形聚集

综合考虑扩散粒子浓度n、粒子扩散限制范围Δ、扩散粒子与种粒子或团簇相遇时，反应概率P及粒子扩散步数W的影响，提出了有限步扩散反应置限聚集的分形生长模型，模拟得到一系列典型的聚集生长图形，计算了相应的分形维数.结果表明，在粒子浓度n较小时，呈离散团簇状生长；而在粒子浓度较大时，则随反应概率P或粒子扩散步数W的增大，从离散团簇状生长转变为连续枝叉状生长. 关键词：     

酚醛型吸附树脂对水体系中吡啶和N,N-二甲基苯胺的吸附性能研究

研究了酚醛型吸附树脂在水体系中对吡啶和N，N-二甲基苯胺的静态和动态吸附行为．结果表明，在水中树脂对吡啶和N，N-二甲基苯胺的吸附主要以疏水吸附机理进行；吸附吡啶和N．N-二甲基苯胺的初始阶段，即达到38．3～48．9％平衡吸附时，吸附速率数据和半经验速率方程很吻合：酚醛型吸附树脂等温吸附吡啶和N，N-二甲基苯胺的平衡吸附数据符合Langmuir方程，相关系数在0．99以上，酚醛型吸附树脂吸附吡啶和N，N-二甲基苯胺属单分子层吸附：用80％的乙醇溶液作洗脱剂来洗脱吸附吡啶已达饱和的JDW-2树脂，效果是很理想的．在3．6个床体积内洗脱率达91．52％，4．8个床体积内洗脱率达到94．85％。表明酚醛型吸附树脂具有优良的洗脱性能．     

旋转输液管动力稳定性理论分析北大核心CSCD

基于Lagrange原理和假设模态法建立了旋转输液管的动力学模型.通过降阶升维的方法求解系统的特征值问题,并分析了旋转输液管自由振动特性.得到了不同端部集中质量和转速下,系统特征值随流速升高的演变轨迹.揭示了临界流速随系统参数的变化规律.研究发现,内部流体的流动对旋转输液管动力学特性存在显著影响.在某些参数组合下,系统低阶模态能够形成不同形式的内共振关系.预示了旋转输液管模型蕴含丰富的动力学现象.     

大孔树脂吸附法处理含苯肼工业废水的研究

以Hz-841大孔树脂为吸附剂,95%乙醇为脱附剂处理含苯肼4000~5000mg/L的工业废水,取得了理想的分离效果,苯肼吸附率>99.8%,树脂工作吸附量40~50g/L。     

激光引发二氟卡宾与烯烃的反应

近十年来,激光引发一氯二氟甲烷红外多光子解离和激光敏化反应的研究非常活跃,但大部分工作都集中于解离机制及同位素分离,而对CF_2HC(?)多光子解离产生的二氟卡宾     

SYNTHESES AND STRUCTURES OF POLYPHENYLSILSESQUIOXANES

Phenyltrichlorosilane was hydrolyzed both ifi. toluene and in ether from which two kinds of prepolymers were obtained with different structures, molecular weights, and molecular weight distributions. Polymers were prepared from the prepolymers in various polymerization conditions. The ladderlike, branched, and crosslinked structures formed under different polymerization conditions were characterized by means of FTIR, ~1H and ~(29)Si-NMR, and elemental analysis. Azeotropic distillation of solvents and H_2O formed during polymerization was found useful in removing H_2O from the system and high molecular weight products with perfect ladderlike structure were obtained.     

A Novel, Simple and Efficient Synthesis of Ferrocenyl Enones and Alkynols

Propargylic alcohols are versatile precursors to many organic molecules including natural products and pharmaceutical compounds.[1] In our continuing interest in the development of practical methods for synthesis of ferrocene derivatives, we decided to investigate the efficiencies of ferrocenylacetylene addition to aromatic aldehydes under t-BuOKcatalyzed condition.[2] Interestingly, we found that the usually reliable coupling reaction between terminal alkyne of type 1 and aromatic aldehydes of type 2 does not furnish the expected propargylic alcohols, but that the isomeric aryl enones 3are found in high yield and very short reaction time (10～20 min). This provided a promising protocol for preparation of ferrocenyl chalcones in a practical, economical and mild sense compared with the traditional method. To the best of our knowledge, this unusual reaction was first observed for the addition of ferrocenylacetylene to aldehyde in a base-catalyzed manner (Eq. 1).