Formation of Chlorotriophenoxy Radicals from Complete Series Reactions of Chlorotriophenols with H and OH Radicals

The chlorothiophenoxy radicals (CTPRs) are key intermediate species in the formation of polychlorinated dibenzothiophenes/thianthrenes (PCDT/TAs). In this work, the formation of CTPRs from the complete series reactions of 19 chlorothiophenol (CTP) congeners with H and OH radicals were investigated theoretically by using the density functional theory (DFT) method. The profiles of the potential energy surface were constructed at the MPWB1K/6-311+G(3df,2p)//MPWB1K/6-31+G(d,p) level. The rate constants were evaluated by the canonical variational transition-state (CVT) theory with the small curvature tunneling (SCT) contribution at 600–1200 K. The present study indicates that the structural parameters, thermal data, and rate constants as well as the formation potential of CTPRs from CTPs are strongly dominated by the chlorine substitution at the ortho-position of CTPs. Comparison with the study of formation of chlorophenoxy radicals (CPRs) from chlorophenols (CPs) clearly shows that the thiophenoxyl-hydrogen abstraction from CTPs by H is more efficient than the phenoxyl-hydrogen abstraction from CPs by H, whereas the thiophenoxyl-hydrogen abstraction from CTPs by OH is less impactful than the phenoxyl-hydrogen abstraction from CPs by OH. Reactions of CTPs with H can occur more readily than that of CTPs with OH, which is opposite to the reactivity comparison of CPs with H and OH.     

制冷剂充灌量和毛细管长度对空调系统性能的影响

在空调器的匹配中，制冷剂充灌量和毛细管长度是两个非常关键的因素。本文采用理论与数值计算的方法，对制冷剂充灌量和毛细管长度对空调系统性能的影响进行了分析，为空调器的优化设计匹配、提高空调器的性能奠定了基础。     

Ni-Mo-O催化剂中协同作用对丙烷氧化脱氢的影响

在 Ni-Mo-O体系中 ,加入 Mo O3 能极大地提高丙烷氧化脱氢制丙烯的反应活性。选用固混法、沉淀法、柠檬酸法制备了 Mo O3 过量 1 5 % (摩尔分数 )的α -Ni Mo O4催化剂 ,其中用沉淀法制得催化剂在 5 0 0℃ ,V( C3 H8) /V ( O2 ) /V ( N2 ) =1 0 /1 0 /5 0 ,反应气流量为 70 m L/min的条件下丙烷转化率可达 38.7% ,丙烯选择性达 70 .1 4 %。经 XRD,XPS,TPR表征说明 ,在含有过量 Mo O3 的催化剂中 ,α -Ni Mo O4与 Mo O3 两种晶体之间可产生微小的相互吸引 ;从而发挥协同作用 ,是提高催化剂活性     

基于蒙特卡罗模拟的项目费用风险分析方法——项目风险分析系列论文（一）

随着招投标项目竞争的日益剧烈,对于项目费用估算的准确性,以及费用不确定性风险分析的要求越来越高,采用概率费用分析的估算方法代替确定性费用估算的需求日益迫切。文章结合国外相关文献的成果,对采用蒙特卡罗模拟的费用风险分析方法、应具备的条件、需要注意的问题以及优势进行了探讨。     

A cell-based robust optimal coordinated control on urban arterial road

Process of optimizing coordinated control is divided into two stages.At the first stage,the study improves a robust optimal control model of single-point intersection to optimize cycle and split.At the second stage,the study combines all links with intersections of arterial road as a complete system,and applies cell transmission model to simulate traffic flow on urban signalized arterial road.We propose a coordinated control model based on the platform to optimize offset between adjacent intersections.Genetic algorithm is executed by MATLAB to solve the model.The performance evaluations show that the model not only effectively reduces average delay and stopping rate of vehicles on arterial road and largely enhances traffic capacity of arterial road,but also lowers the sensitivity of signal control for flow fluctuations.     

宽耦合范围的多模式无线电能传输系统

无线电能传输系统的传输能力在很大程度上受到其线圈耦合范围的限制.对于串联补偿的无线电能传输系统,传输功率随线圈耦合增强将降低,因此在实际的系统伏安容量限制条件下,传统无线电能传输系统难以在较宽的线圈耦合范围内输出所需的额定功率.为此提出了一种基于中心抽头绕组的可重构谐振拓扑,可在不同的线圈耦合范围内选择不同的连接方案和工作模式.可重构谐振拓扑充分考虑了各部分电路在不同模式中的重复利用,使系统在覆盖更宽耦合范围的同时保持了简洁的电路拓扑和尽量少的元件数量.仿真结果证明了该结构可在不显著增加系统伏安容量的情况下,大幅增大系统输出额定功率的线圈耦合范围.     

镁基复合材料微区力学状态的有限元分析

弹性变形范围内,在采用三维有限元模型分析了颗粒增强Mg基复合材料(PRMMCs)中,颗粒的分布形态对材料微区力学状态的影响。结果表明,在保持颗粒长径比(2:1)和颗粒间距(d)不变的情况下,随着θ的变化,不存在颗粒断裂的危险,材料的主要失效方式为界面脱离和基体开裂。增强体相对夹角θ=15o时的结果优于其它情况,这更有利于充分发挥材料的性能。     

粉末冶金法制备SiC晶须增强MB15镁基复合材料

采用粉末冶金法制备了SiC晶须增强镁基复合材料(SiCW／MB15)试样。通过检测基体显微硬度探讨了SiCW对镁合金时效规律的影响，并借助扫描电镜(SEM)、透射电镜(TEM)和拉伸试验，研究了混粉方式对复合材料室温力学性能、SiCW分布及显微结构的影响。结果表明，MB15及其复合材料的时效硬化曲线上均存在双峰现象；SiCW的加入既提高了MB5的硬度，又加快了其时效速度：混粉方式对晶须分布及SiCW／MB15复合材料的室温力学性能影响很大。     

螺旋侧板厚度对浮式风力机Spar平台涡激载荷的影响

Spar平台因其特殊的深吃水立柱式结构,在来流影响下极易发生涡激运动。为探究不同厚度螺旋侧板对浮式风力机Spar平台涡激载荷的影响,基于CFD方法,针对不同厚度螺旋侧板,对平台进行了数值模拟并详细分析平台的升阻力系数、压力场及涡量场等流场参数。结果表明:螺旋侧板可有效抑制涡激载荷,且随厚度增加,升力系数幅值先增加后减小,阻力系数逐步减小;在研究范围内,螺旋侧板厚度为0.10 D时,升力系数幅值最小,阻力系数与原型平台在同一范围内,对涡激载荷的抑制效果最好。     

环氧胶粘剂增韧改性研究进展

概述了关于近些年环氧树脂以及环氧树脂胶粘剂增韧改性的研究进展情况,简单地介绍了以无机刚性填料(颗粒)增韧改性环氧胶粘剂的情况,比较详细地叙述了以橡胶弹性体和热塑性树脂增韧改性环氧胶粘剂的一些重要研究情况及相关的增韧机理,指出了国内外之间环氧胶粘剂发展的差距,同时提出了环氧胶粘剂将来的重点和发展趋势。