防紫外线伞ATR-OMNI采样器的FTIR分析

本实验使用OMNI采样器，直接对伞面内外进行单反射ATR的分析，快速、简便、不破坏样品，得到分辨率很好的红外图谱，再配合红外谱库的谱图检索，可以分别得到匹配率95％以上的尼龙－6和聚酯型聚氨酯的分析结果。     

一类求解线性约束非线性规划问题的可行方向法

Wilson,Han和Powell提出的序列二次规划方法(简称SQP方法)是求解非线性规划问题的一个著名方法,这种方法每次迭代的搜索方向是通过求解一个二次规划子问题得到的,本文受[1]启发,得到二次规划子问题的一个近似解,进而给出了一类求解线性约束非线性规划问题的可行方向法,在约束集合满足正则性的条件下,证明了该算法对五种常用线性搜索方法具有全局收敛性。     

一类Narcissistic反应过渡态的优化

我们对一类narcissistic 反应XCH_2-CH_2Y→[过渡态TS]→YCH_2—CH_2X (1)进行了研究,结果表明其过渡态能在对称性限制下由能量极小化方法较容易地给出. 采用IMSPAK分子轨道从头算程序,在IBM VM/370计算机系统上用STO—3G极小基组以平衡几何构型的能量梯度优化方法,在对称性限制下对反应(1)的几种反应体系的过渡态构型进行了优化,其结果列于表1.     

X分形晶格上Gauss模型的临界性质

采用实空间重整化群变换的方法,研究了2维和d(d>2)维X分形晶格上Gauss模型的临界性质.结果表明:这种晶格与其他分形晶格一样,在临界点处,其最近邻相互作用参量也可以表示为K=bqiqi(qi是格点i的配位数,bqi是格点i上自旋取值的Gauss分布常数)的形式;其关联长度临界指数v与空间维数d(或分形维数df)有关.这与Ising模型的结果存在很大的差异. 关键词： X分形晶格 重整化群 Gauss模型 临界性质     

Controlling global stochasticity of Hamiltonian systems by nonlinear perturbation

A method of controlling global stochasticity in Hamiltonian systems by applying nonlinear perturbation is proposed. With the well-known standard map we demonstrate that this control method can convert global stochasticity into regular motion in a wide chaotic region for arbitrary initial condition, in which the control signal remains very weak after a few kicks. The system in which chaos has been controlled approximates to the original Hamiltonian system, and this approach appears robust against small external noise. The mechanism underlying this high control efficiency is intuitively explained. Received 15 January 2002 Published online 6 June 2002     

Liquid phase oxidation of p-chlorotoluene to p-chlorobenzaldehyde over cobalt-doped mesoporous titania with a crystalline framework

Cobalt-doped mesoporous titania with a crystalline framework synthesized by surfactant templating method presented highly selective (99%) and reasonable conversion rate (49%) of catalytic oxidation of para-chlorotoluene to para-chlorobenzaldehyde in acetic acid using aqueous hydrogen peroxide as oxidant for the first time. Recycling of the catalyst indicates that the catalyst can be used a number of times without losing its activity to a greater extent. By contrast, cobalt-doped mesoporous titania without a crystalline structure and cobalt doped the commercial titania, Degussa P25 prepared by impregnation method with the similar concentration of cobalt were found inactive. The effects of catalyst concentration, reaction time, reaction temperature, and solvents on the performance of the catalyst were also investigated.     

Compact, reliable asymmetric optical configuration for cost-effective fabrication of multiplex dot matrix hologram in anti-counterfeiting applications

This study presents a compact optical configuration that can generate a multiplex dot-matrix hologram with complex interlaced images for anti-counterfeiting applications on valuable paper. Varying the orientation of the interference plane can enable the multiplex hologram to be recorded without changing the interference angle of two laser beams. With its simple asymmetric optical setup, a multiplex hologram with many interlaced images can be efficiently fabricated, increasing the cost of imitation. Experimental details of the asymmetric optical setup are also described.     

Computations of critical groups and applications to asymptotically linear wave equation and beam equation

In this paper, by using the Morse index theory for strongly indefinite functionals developed in [Nonlinear Anal. TMA, in press], we compute precisely the critical groups at the origin and at infinity, respectively. The abstract theorems are used to study the existence (multiplicity) of nontrivial periodical solutions for asymptotically wave equation and beam equation with resonance both at infinity and at zero.