Hydrogen peroxide promoted hydroxylation of haloarenes and heteroarenes

Addition of aqueous hydrogen peroxide significantly accelerates the substitution reactions of hydroxide salts with haloarenes bearing electron withdrawing substituents. A similar effect is observed in the reactions of hydroxide salts with halogenated heteroarenes. Reactions are carried out in water or water-THF at ambient temperature or at 50-60 °C.     

Instabilities in the Chapman-Enskog Expansion and Hyperbolic Burnett Equations

It is well-known that the classical Chapman-Enskog procedure does not work at the level of Burnett equations (the next step after the Navier-Stokes equations). Roughly speaking, the reason is that the solutions of higher equations of hydrodynamics (Burnett's, etc.) become unstable with respect to short-wave perturbations. This problem was recently attacked by several authors who proposed different ways to deal with it. We present in this paper one of possible alternatives. First we deduce a criterion for hyperbolicity of Burnett equations for the general molecular model and show that this criterion is not fulfilled in most typical cases. Then we discuss in more detail the problem of truncation of the Chapman-Enskog expansion and show that the way of truncation is not unique. The general idea of changes of coordinates (based on analogy with the theory of dynamical systems) leads finally to nonlinear Hyperbolic Burnett Equations (HBEs) without using any information beyond the classical Burnett equations. It is proved that HBEs satisfy the linearized H-theorem. The linear version of the problem is studied in more detail, the complete Chapman-Enskog expansion is given for the linear case. A simplified proof of the Slemrod identity for Burnett coefficients is also given.     

一种高信噪比的双光束激光光声光谱仪原理及应用

作为一种新兴的检测手段 ,激光光声光谱技术与其他检测技术相比具有很多优点。本文设计的光声光谱仪用激光做光源 ,有两个光声池 ,分别用来放置参考样品和待测样品 ,输出结果为二者光声信号的比值。利用这一比值 ,可以由参考样品的性能参数方便地求出待测样品的相关性能参数。该光声光谱仪有效地减小了本底吸收噪声的影响 ,提高了信噪比 ,扩大了固体光声理论的应用范围。本文还阐述了该光声光谱仪在定性定量分析中的一些应用     

Hybrid Electrodes Used in Polymer Electro-Optic Modulator with Ultra-Broadband

Hybrid electrode combined coplanar waveguide (CPW) and microstrip lines in ultra-broadband electro-optic modulators. The characteristics of the modulators with hybrid electrode is like that of the modulator with the microstrip lines, in which the microstrip electrode is loaded above only one arm of Mach-Zehnder (M-Z) optical waveguide, besides the problem of microstrip line to coaxial transition and corona polarization in polymer modulators have been best solved at the same time. By using finite element method (FEM), the characteristic parameters such as half-wave voltage, modulation bandwidth characteristic impedance, effective microwave refractive index of polymer modulators with microstrip line and hybrid electrode are analysed and compared in this paper. The results present that velocity match, impendence match and lower microwave propagating loss is easily realized in modulators with hybrid electrode.     

Estimation of growth rate in unidirectionally solidified multicrystalline silicon by the growth-induced striation method

Multicrystalline silicon was grown by unidirectional solidification method using the accelerated crucible rotation technique. The application of the accelerated crucible rotation technique in unidirectional solidification method induced growth striations across the axial direction of the grown crystal. This striation pattern was observed from carbon concentration distribution, obtained by using Fourier transform infrared spectroscopy. The generated striation pattern was found to be weak and discontinuous. Some striations were absent, probably due to back melting, caused during each crucible rotation. From the growth striations and applied time period in crucible rotation, the growth rate was estimated by using Fourier transformation analysis.     

The method of lines solution of discrete ordinates method for radiative heat transfer in cylindrical enclosures

A radiation code based on method of lines solution of discrete ordinates method for radiative heat transfer in axisymmetric cylindrical enclosures containing absorbing-emitting medium was developed and tested for predictive accuracy by applying it to (i) test problems with black and grey walls (ii) a gas turbine combustor simulator enclosing a non-homogeneous absorbing-emitting medium and benchmarking its steady-state predictions against exact solutions and measurements. Comparisons show that it provides accurate solutions for radiative heat fluxes and can be used with confidence in conjunction with CFD codes based on the same approach.     

On Producing Multiple Solutions Using Repeated Trials

The number of trials that is required by an algorithm to produce a given fraction of the problem solutions with a specified level of confidence is analyzed. The analysis indicates that the number of trials required to find a large fraction of the solutions rapidly decreases as the number of solutions obtained on each trial by an algorithm increases. In applications where multiple solutions are sought, this decrease in the number of trials could potentially offset the additional computational cost of algorithms that produce multiple solutions on a single trial. The analysis framework presented is used to compare the efficiency of a homotopy algorithm to that of a Newton method by measuring both the number of trials and the number of calculations required to obtain a specified fraction of the solutions.     

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。     

Modeling of radiative heat transfer in an axisymmetric cylindrical enclosure with participating medium

Radiative heat transfer in an axisymmetric enclosure with absorbing, emitting, and scattering medium is studied here by using the different methods such as MDOM, FVM, and MFVM with emphasis on the treatment of angular derivative term, which appears in curvilinear coordinates due to angular redistribution. After final discretization equation for MFVM is introduced by using the step scheme and directional weights, the present approach is validated by applying it to three different benchmarking problems with absorbing, emitting, and scattering medium. All of the results presented here support its accuracy as well as moderate efficiency. Finally, the present approaches are applied to a truncated cone-shaped enclosure as a body-fitted geometry case.     

Energy of formation for and liquid binary alloys

We have investigated the free energy of formation for Ag_xIn_1-x and Ag_xSn_1-x liquid binary alloys at temperatures 1173 and 1250 K, respectively. A microscopic theory based on the first order perturbation has been applied. The interionic interaction and a reference liquid are the fundamental components of the theory. The interionic interaction is described by a local pseudopotential. A liquid of hard spheres (HS) of two different effective diametres and charges is used to describe the reference system. The results of the calculations for energy of formation agree very well with the available experimental data. Our calculations also reveal that a simple perturbative approach along with appropriate effective pair potentials can produce nearly quantitative results for the concerned alloys.