CH3SS与OH自由基反应机理的理论研究

应用密度泛函理论(DFT)对CH3SS与OH自由基单重态反应机理进行了研究.在B3PW91/6-311+G(d,p)水平上优化了反应通道上各驻点(反应物、中间体、过渡态和产物)的几何构型,用内禀反应坐标(IRC)计算和频率分析方法对过渡态进行了验证.在QCISD(T)/6-311++G(d,p)水平上计算了各物种的单点能,并对总能量进行了零点能校正.研究结果表明,CH3SS与OH反应为多通道反应,有5条可能的反应通道.反应物首先通过不同的S—O键相互作用形成具有竞争反应机理的中间体IM1和IM2.再经过氢迁移、脱氢和裂解等机理得到主要产物P1(CH2SS+H2O),次要产物P2(CH2S+HSOH),P3(CH3SH+1SO)和P4(CH2SSO+H2),其中最低反应通道的势垒为174.6kJ.mol-1.     

基于反应谱值分析的爆破震动破坏评估研究

采用反应谱方法研究了爆破震动信号的振动速度和频率特征,提出了采用反应谱曲线积分值来评估爆破震动破坏效应。通过对289组爆破地震波数据的统计表明,在反应谱曲线的积分值小于5时,爆破地震动不会对所研究的普通民房结构物产生震动破坏效应。     

Traffic assignment in communication satellites

A high capacity communication satellite interconnects scores of ground stations simultaneously. Under the Satellite-Switched/Time Division Multiple Access (SS/TDMA) system, each channel of the satellite is allocated to a pair of ground stations for a certain time period, after which the whole set of allocations (called a switch) is changed simultaneously. The problem we address is to minimize the time length of the entire sequence of switches, subject to a limit on the number of switches. We formulate this as a 3-index bottleneck-sum assignment problem, and solve it by a heuristic that obtains consistently better results than earlier methods based on different formulations.     

Development of a low flow‐resistive charged nanoporous membrane in a microchip for fast electropreconcentration

A nanoporous poly‐(styrene sulfonate) (poly‐SS) membrane was developed for fast and selective ion transport in a microfluidic chip. The poly‐SS membrane can be photopolymerized in‐situ at arbitrary location of a microchannel, enabling integrated fluidics design in the microfluidic chip. The membrane is characterized by a low hydraulic resistance and a high surface charge to maximize the electroosmotic flow and charge selectivity. The membrane characteristics were investigated by charge‐selective electropreconcentration method. Experimental results show membranes with various percentages of poly‐SS are able to concentrate anions (fluorescein and TRITC‐labeled BSA). The anion‐selective electropreconcentration process is stable and 26‐times faster than previously reported poly‐AMPS (2‐acrylamido‐2‐methyl‐1‐propanesulfonic acid) based system. The electropreconcentration was also demonstrated to depend on the sample valency and buffer concentration.     

Comparison between the use of polyether ether ketone and stainless steel columns for ultrasonic-assisted extraction under various ultrasonic conditions

The ultrasound-assisted extraction (UAE) was conducted using the stainless steel (SS) and polyether ether ketone (PEEK) columns and analyzed with high-performance liquid chromatography (HPLC) to understand the mechanism of ultrasound-assisted chromatography (UAC). Empty SS and PEEK columns were used to extract dyes from a fabric under identical conditions with several parameters including the initial ultrasonic bath temperatures (30 °C and 40 °C), ultrasound power intensities (0, 20, 40, 60, 80, and 100 %), ultrasound operation modes (normal and sweep), and ultrasound frequencies (25 kHz, 40 kHz, and 132 kHz) to compare their extraction capabilities. After 30 min of extraction, the amount of extract was determined by HPLC. The PEEK material was significantly affected by ultrasonic radiation compared to the SS material, especially at a higher temperature (40 °C), power intensity (100 %), and frequency (132 kHz) with sweep mode. At a maximum power density of 45 W/L, the extraction effectiveness ratio of PEEK to SS was in the range of 1.8 - 3.9 depending on the specific frequency, initial temperature, and with or without temperature control. The most optimal ultrasound frequencies, in terms of enhancing extraction effectiveness, are in the order of 132 kHz, 40 kHz, and 25 kHz. Unlike the SS material, the PEEK material was more affected by temperature and acoustic effects under identical conditions, especially at 132 kHz ultrasound frequency. In contrast, at lower frequencies of 40 kHz and 25 kHz, no significant differences in the acoustic effects were observed between the PEEK and SS materials. The findings of this study contribute to elucidating the roles of column materials in UAE and UAC.     

Flow regimes in wet conical spouted beds using glass bead mixtures

Using a high-viscosity Newtonian fluid, glycerol, an experimental investigation was carried out to evaluate the stable spouting regime in conical spouted beds using four particle mixtures: a reference (monoparticles), a binary mixture, two ternary mixtures with flat and Gaussian distributions respectively. The mixtures were selected for particle diameters (dp) ranging from 1.09 to 4.98 mm and particle diameter ratios (dpL/dps) ranging from 1.98 to 4.0. Experimental data show that pressure fluctuation signals of the bed, as indicated by changes in their standard deviations, provide suitable information to identify the range of operational conditions for stable spouting. However, the analysis of skewness of curves of pressure fluctuation as a function of air velocity appears not sufficient to identify a particular flow regime. For glycerol in the spouting regime, the standard deviation is noted to increase with increasing glycerol concentration due to the growth of interparticle forces. The implications of these research findings on the drying of suspensions in conical spouted beds using glass bead mixtures are also discussed.     

基于SSCVD方法的a-b轴取向ZnO薄膜制备

以Zn₄(OH)₂(O₂CCH₃)₆·2H₂O为单一固相有机源,采用单源化学气相沉积法(Single sour cechem icalvapor deposition,SSCVD)在Si(100)衬底上制备ZnO薄膜,用X射线衍射(XRD)、原子力显微镜(AFM)分析ZnO薄膜样品的晶体结构和微观形貌,并用X射线光电子能谱(XPS)对薄膜的锌氧化学计量比进行了分析。研究结果表明:在非平衡条件下所得到的ZnO薄膜沿a-b轴取向生长,基片温度对ZnO薄膜生长过程影响较大,随着基片温度的升高,薄膜呈现c轴生长趋势;晶粒成柱状、尺寸均匀、膜层结构致密;薄膜样品中n_Zn:n_O=0.985。     

聚变堆超导磁体用SS316LN铠甲低温断裂性能研究

对聚变堆中心螺管(CS)线圈中，铠装电缆导体(CICC)中的SS316LN 不锈钢铠甲在运行状态下的断裂性能进行了测试分析。结果显示SS316LN 疲劳裂纹扩展性能较稳定，断裂韧性在经历冷变形与时效热处理后出现了大幅度衰减。此结果为未来核聚变堆超导线圈的设计与性能分析提供了数据参考。     

X-ray photoelectron spectroscopy investigation of the carburization of 310 stainless steel

The surface of 310 stainless steel (310SS) samples was investigated by X-ray photoelectron spectroscopy (XPS) after 500 h cyclic exposure to two carburizing atmospheres: CH₄ (2%)–H₂ (98%) at 800 °C, and CH₄ (10%)–H₂ (90%) at 1100 °C. The depth distribution of various elements in the surface region was obtained by XPS after successive cycles of argon etching. The microstructure of the alloy was observed by scanning electron microscopy (SEM) and the phases formed during the exposure were analyzed by X-ray diffraction (XRD). The results showed that the major phases that were formed within few micrometer depth during exposure at 800 °C include both iron and chromium carbides. (Mn, Cr) oxide was also formed as a result of the reaction with the residual oxygen of the atmosphere. A region of few microns width that was relatively depleted of chromium was formed under the surface as a result of the outwards diffusion of chromium. The exposure to the reducing atmosphere at 1100 °C led to the formation of various iron and chromium carbides. No oxide was formed during exposure. In all exposed samples, the surface was Cr enriched while nickel remained buried under the surface region that reacted with the atmosphere.     

SS(PS)/CTAB/NaBr/H_2O体系双水相性质的研究

The phase behavior and property of aqueous two-phase system formed by SS(PS)/CTAB/NaBr/H2O mixture had been studied.The results indicated that there was only one ATPS region in the both systems,and the system with PS showed a peculiar inversion of ATPS.As a function of composition,the volume ratio appeared a turn on its relation curve.It was surposed that one side of the turn was ATPS which contains cubic liquid crystal,the other dosen't.When the ratio of top vulume to bottom volume was close to 1,the ATPS forming time was the shortest,and vice versa.