在酸性介质中N-H伪酸Mannich反应机理的量子化学研究

用量子化学中的ＳＣＦ－ＭＯＡＭ１方法，全优化计算了以苯并唑酮为伪酸组分的（Ｎ－Ｈ酸）Ｍａｎｎｉｃｈ反应的反应物、过渡态和产物络合物的分子几何构型、电子结构和生成热。根据计算所得各反应的活化能，提出了该反应在酸性介质中的机理，即甲醛首先与苯并唑酮作用，其产物再与二甲胺作用生成Ｍａｎｎｉｃｈ碱，并就其缘由进行了讨论。     

高速钢W6Mo5Cr4V2的脱磷试验

在３０ｋｇ感应炉上用ＣａＯ－Ｎａ２ＣＯ３－ＣａＦ２－ＦｅｘＯ（ＭｏＯ３）渣、ＭｏＣｌ６粉剂和Ａｌ－Ｃａ合金作脱磷剂对高速钢Ｗ６Ｍｏ５Ｃｒ４Ｖ２进行脱磷试验。结果表明，ＣａＯ－Ｎａ２ＣＯ３－ＣａＦ２－ＦｅｘＯ渣的脱磷效果最好，一般脱磷率可达２６％￣５６％。     

顺丁橡胶后处理新型交替运输机

在顺丁橡胶后处理生产线上，用处行开发的新型交替运输取代原有运输机。试用结果表明，采用新型交替运输机后，胶块的导向到位率由７０％提高到９８％；减轻了劳动强度，提出了生产开工率，运行周期可达１ａ以上。     

CDMA基带信号发生器设计与仿真

主要研究了CDMA蜂窝通信系统的工作原理，且以基于IS－95标准的前向链路为主。利用MATLAB软件建立了前向链路中各器件的模块，实现了CDMA基带信号发生器，并在时域及频内进行了测量。     

Best L1 Piecewise Monotonic Data Modelling

Let us consider n data measurements of a univariate process that have been altered by random errors. We assume that an underlying model function has a substantially smaller number of turning points than the observed ones. We propose algorithms that make least the sum of the moduli of the errors by requiring k monotonic sections, alternately increasing and decreasing, in the sequence of the smoothed values. The main difficulty in this calculation is that the optimal positions of the joins of the monotonic sections have to be found automatically among so many combinations that it is impossible to test each one separately. Moreover, the calculation seems to be very intractable to general optimization techniques because O(n^k) local minima can occur. It is shown that dynamic programming can be used for separating the data into optimal disjoint sections of adjacent data, where each section requires a single L₁ monotonic calculation. This procedure is highly efficient, requiring at most O(kn²) computer operations and O(n) best L₁ monotonic calculations to subranges of data for a global minimum.     

Si_（1－x）Ge_x／Si定向耦合器的研制

在运用ＳｉＧｅ脊形波导单模条件和有效折射率法分析ＳｉＧｅ／Ｓｉ定向耦合器结构参数的基础上，采用分子束外延和各向异性腐蚀技术制备出Ｓｉ１－ｘＧｅｘ／Ｓｉ（ｘ＝０．０５）单模定向耦合器．在波长为１．３μｍ时，平均串音小于－１８．１ｄＢ，输出功率耦合效率达到９８．１％     

The As-prepared surfaces of C-axis-oriented Nd1Ba2Cu3Oy thin films characterized using scanning probe microscopes

Recently, superconducting Nd₁Ba₂Cu₃O_y (Ndl23) thin films with high superconducting transition temperature (T _c) have been successfully fabricated at our institute employing the standard laser ablation method. In this paper, we report the results of surface characterization of the Nd123 thin films using an ultrahigh vacuum scanning tunneling microscope/spectroscopy (UHV-STM/STS) and an atomic force microscope (AFM) system operated in air. Clear spiral pattern is observed on the surfaces of Nd123 thin films by STM and AFM, suggesting that films are formed by two-dimensional island growth mode. Contour plots of the spirals show that the step heights of the spirals are not always the integer or half-integer number of thec-axis parameter of the structure. This implies that the surface natural termination layer of the films may not be unique. This result is supported byI-V STS measurements. The surface morphology of the Nd123 thin films is compared with that of thec-axis-oriented Y₁Ba₂Cu₃S_y thin films. Surface atomic images of the as-prepared Nd123 thin films are obtained employing both STM and AFM. STS measurements show that most of the surfaces are semiconductive. The results of STS measurements together with the fact that we are able to see the surface atomic images using scanning probe microscopes suggest that exposure to air does not cause serious degradation to the as-prepared surfaces of Nd123 thin films.     

Development and simulation studies of an unsteady state biofilter model for the treatment of cyclic air emissions of an α‐pinene gas stream

This paper describes the development and simulation of an unsteady state biofilter model used to predict dynamic behaviour of cyclically‐operated biofilters and compares it with experimental results obtained from three, parallel, bench‐scale biofilters treating both periodically fluctuating concentrations and constant concentrations of an α‐pinene‐laden gas stream. The dynamic model, using kinetic parameters estimated from the constant concentration biofilter, was able to predict the performance of cyclic biofilters operating at short cycle periods (ie, in the order of minutes and hours). Steady state kinetic data from a constant concentration biofilter can be used to predict unsteady state biofilter operation. At a 24 h cycle period, the dynamic model compared well with experimental results. For long cycle periods (ie, hours and days), removal efficiency decreased after periods of non‐loading: the longer the period of non‐loading, the poorer the biofilter's performance at the re‐commencement of pollutant loading. At longer time scales the model did not effectively predict transient behaviour, as adsorption and changes in kinetic parameters were not accounted for. Modelling results showed that similar biofiltration performance for the cyclic and constant concentration biofiltration of α‐pinene is expected for biofilters operating solely in the first order kinetics regime. Poorer performance for cyclic biofilters following Monod kinetics spanning the entire kinetics range is expected as the cycle amplitude increases. The most important parameters affecting the performance of a cyclically‐operated biofilter with short cycle periods are: amplitude of cyclic fluctuations, C_{g, max}/C_g, relative value of the half‐saturation constant in the Monod expression, K_s, and effective diffusivity of α‐pinene in the biofilm, D_e. Copyright © 2005 Society of Chemical Industry     

Ultrasound‐activated Knoevenagel condensation of malononitrile with carbonylic compounds catalysed by alkaline‐doped saponites

α,β‐Unsaturated nitriles have been synthesized by Knoevenagel condensation of a carbonylic compound with malononitrile, assisted by sonochemical irradiation. Two alkaline‐promoted clays (Li⁺‐ and Cs⁺‐exchanged saponites) have been employed as catalysts. The influence of the carbonylic compound (benzaldehyde or cyclohexanone) and the use of a solvent on the catalytic activity have been studied. Remarkable increase in the conversion values has been found when the reaction is activated by ultrasound, as compared with the thermal activation. In this green, solvent‐free procedure, α,β‐unsaturated nitriles have been produced in very high yields (97%) when the Cs⁺‐saponite is used as catalyst. Copyright © 2004 Society of Chemical Industry