Statistical thermodynamics evaluation of polymer–polymer miscibility

The Simha and Somcynsky (S–S) statistical thermodynamics theory was used to compute the solubility parameters as a function of temperature and pressure [δ = δ(T, P)], for a series of polymer melts. The characteristic scaling parameters required for this task, P*, T*, and V*, were extracted from the pressure–temperature–volume (PVT) data. To determine the potential polymer–polymer miscibility, the dependence of δ versus T (at ambient pressure) was computed for 17 polymers. Close proximity of the δ versus T curves for four miscible polymer pairs: PPE/PS, PS/PVME, and PC/PMMA signaled the usefulness of this approach. It is noteworthy, that the tabulated solubility parameters (derived from the solution data under ambient conditions) propounded the immiscibility of the PVC/PVAc pair. The computed values of δ also suggested miscibility for polymer pairs of unknown miscibility, namely PPE/PVC, PPE/PVAc, and PET/PSF. In recognizing the limitations of the solubility parameter approach (the omission of several thermodynamic contributions), these preliminary results are auspicious because they indicate a new route for estimating the miscibility of any polymeric material at a given temperature and pressure. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2909–2915, 2004     

电激励O2（1△g）发生器的理论模拟研究

 建立了基于分子反应动力学的氧等离子体化学反应模型，该模型包括了电子与氧分子，以及氧原子与氧分子的碰撞反应过程。利用反应动力学理论计算并讨论了电激励O₂(¹△)发生器的放电参数，发现电子能量应小于2.5eV。电子浓度对O₂(¹△)产率的影响不大，当放电压力与气体线流速一定时，存在最佳的电子平均能量。     

Study on the covalence of Cu and chemical bonding in an inorganic fullerene-like molecule, [CuCl]20[Cp*FeP5]12 [Cu-(CH3CN)+2Cl-]5, by a density functional approach

The electronic structure and chemical bonding in a recently synthesized inorganic fullerene-like molecule, [CuCl]₂₀[Cp*FeP₅]₁₂[Cu-(CH₃CN) ⁺ ₂Cl⁻]₅ has been studied by a density functional approach. Geometrical optimization of the three basic structural units of the molecule is performed with Amsterdam Density Functional Program. The results are in agreement with the experiment. Localized MO’s obtained by Boys-Foster method give a clear picture of the chemical bonding in this molecule. The reason why CuCl can react with Cp*FeP₅ in solvent CH₃CN to form the fullerene-like molecule is explained in terms of the soft-hard Lewis acid base theory and a new concept of covalence.     

Study on the covalence of Cu and chemical bonding in an inorganic fullerene-like molecule, [CuCl]_(20)[Cp~*FeP_5]_(12)[Cu-(CH_3CN)_2~+Cl~-]_5, by a density functional approach

The titled inorganic fullerene-like molecule (hereafter abbreviated as IFM) was recently synthe-sized by Bai et al.[1], which attracts a lot of interests from inorganic and organometallic chemists, and questions are raised for this smart molecule: (ⅰ) Why CuCl can react with Cp*FeP5 in solvent CH3CN to form IFM? (ⅱ) What is the nature of chemical bond-ing? (ⅲ) What is the covalence of Cu in this mole-cule? In this paper we intend to answer these questions in terms of the soft-hard …     

High power CW solid-state multilaser system

A laser system containing four CW Nd:YAG double-rod lasers, transforming optics and a fibre with input-output optics has been designed and investigated. It is shown that reduction of the beam parameter product of the non-Gaussian beams in the image space of the lens has made it possible to collect the emission of four lasers to the same fibre. Independent laser operation has provided the output power control in the range of 10–900 W with a stable light spot size on the input end of the fibre.     

Identification of nonlinear elliptic equations

An optimization theoretic approach and algorithm for the estimation of state-dependent coefficients in nonlinear elliptic equation is presented. It is based on a splitting method combined with convex analysis techniques. Convergence of the algorithm is established and numerical examples are included.The research of K. Kunisch was supported in part by a grant from the Bundesministerium für Wissenschaft und Forschung, Austria.     

Some non-local problems for the parabolic-hyperbolic type equation with non-characteristic line of changing type

In this work two non-local problems for the parabolic-hyperbolic type equation with non-characteristic line of changing type are considered. Unique solvability of these problems is proven. The uniqueness of the solution is proven by the method of energy integrals and the existence is proven by the method of integral equations.     

On parabolic equations with a small parameter

A singularly perturbed parabolic equation with a nonlinear right-hand side of a special form is examined. A numerical analytical study of such equations is performed.     

BRD96N光调制吸收增强现象的实验研究

通过光谱响应特性实验和记录／读出图像实验，研究了基因变异型细菌视紫红质（BR_D96N）分子膜对单色光的光调制特性.发现BR_D96N分子膜在550nm—600nm范围内对调制光有吸收增强的现象，且对此范围内不同波长的单色光其调制程度有差异.利用曲线拟和方法发现550nm—600nm吸收增强的变化过程分为快过程和慢过程，其对应的时间常数分别为30s和5min.利用强度调制器的吸收强度与图像灰度之间的关系，分析了560nm—600nm范围内出现图像反转的实验现象. 关键词： 细菌视紫红质D96N分子膜 光谱响应 吸收增强现象 图像反转现象     

涡旋柔性弹簧及组件性能实验研究

本文利用TSL系列弹簧刚度实验仪对用于斯特林制冷机中的单片柔性弹簧及柔性弹簧组件进行了实验研究。测试了四种不同尺寸弹簧刚度的动态特性,研究了单片弹簧的轴向刚度、径向刚度以及力矩特性,然后对柔性弹簧组件进行了实验研究,指出了不同组合方法下的刚度及弯矩特性,得到的数据可以作为斯特林制冷机设计的参考。