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.     

Large increase of Curie temperature in (110)-oriented La0.7Sr0.3MnO3 films

From the perspectives of scientific researches and practical applications, it is desirable to explore high operating temperature ferromagnetic films. The effect of biaxial strain on magnetic properties of (110)-oriented La_0.7Sr_0.3MnO₃ films was studied. High quality La_0.7Sr_0.3MnO₃ films were grown on (110)-oriented perovskite single crystal substrates using pulsed laser deposition, varying substrate-induced misfit strains from ??2.27–0.75%. A remarkable enhancement of Curie temperature has been achieved for (110)-oriented La_0.7Sr_0.3MnO₃ films clamped with small misfit strains (i.e., grown on LAST (110)). The enhanced Curie temperature of (110)-oriented La_0.7Sr_0.3MnO₃ films could be attributed to the misfit strain between the films and the underlying substrates and may have technological implication for applications at high temperature environments.     

Preparation of ZrC/SiC porous self-supporting monoliths via sol-gel process using polyethylene glycol as phase separation inducer

We present a straightforward method via sol-gel process using polyethylene glycol (PEG) as phase separation inducer to prepare zirconium carbide/silicon carbide (ZrC/SiC) porous monoliths. Organic/inorganic hybrid gels are prepared using zirconium oxychloride, furfuryl alcohol, and tetraethyl orthosilicate as major starting materials. In the presence of PEG, crack-free hybrid monoliths are obtained by drying the wet gels under ambient pressure, whereas in the absence of PEG, the wet gels break into pieces as expected. PEG plays a key role in maintaining the macroscopic shape of the monoliths. After ceramization at 1300–1500?°C, ZrC/SiC porous monoliths are obtained. SEM and mercury intrusion porosimetry data show that PEG also has strong influence on the microstructures of the monoliths. The compressive strengths of the ceramic monoliths are in the range of 0.3 to 0.7?MPa. And their compressive behavior starts to differ due to the changes in their microstructures, especially the pore structure.     

我公司延长耐火砖寿命的工艺管理措施

正0引言我公司有两条2 500 t/d的熟料生产线,于2000年先后投产,现正常生产,随着近年来对耐火材料使用的技术攻关和精心管控,烧成带窑砖使用寿命超过40个月。下面就我公司的延长耐火砖寿命的工艺管理措施进行介绍,供借鉴研讨。     

某进口固体废物“铁精粉”的鉴别方法探析

为了确保不进口污染环境的固体废物，针对某冒充铁精粉的进口固体废物，通过外观、成分、物相分析进行了系统的鉴别。确定样品主要为经研磨加工的氧化铁皮，属于禁止进口的固体废物——轧钢产生的氧化皮。     

埋地管道泄漏内封堵装置设计与研究

针对流体输送埋地管道泄漏问题,设计了一种利用管道机器人携带封堵气囊进行快速应急封堵修复的埋地管道泄漏内封堵装置。采用矩阵变换方法建立了牵引系统驱动轮过弯方程,利用MATLAB软件对过弯方程进行了验证,同时利用ADAMS软件仿真分析过弯路径与驱动轮转角对牵引系统行走速度的影响。研究结果表明:由两个串联封堵器组成的应急封堵系统可满足复杂工况下的管道泄漏封堵要求;牵引系统驱动轮在弯管内部行走时,单轮速度呈周期性变化,但三个驱动轮整体周期运动特性一致;驱动轮转角在25°~40°时,牵引系统行走速度与驱动轮转角成正比,且转角为30°时驱动效果最好。该内封堵装置的结构设计可为管道泄漏应急封堵领域装备的研发提供重要参考。     

无源光网络标准发展及关键技术研究

无源光网络(Passive Optical Network,PON)作为当今接入网的主要技术解决方案,具有带宽使用效率高、传输距离远、抗干扰能力强等特点.通过研究PON技术的发展动态,本文首先归纳了各种PON技术的产生背景和应用特点,整理出各技术间的连接关系及主要标准;其次介绍了PON技术的帧结构,并对带宽、波长、传输模式等PON技术的主要参数进行了汇总;然后将国内外研究热点进行划分,围绕媒体访问控制协议、帧结构、动态带宽分配算法、节能机制等关键技术,阐述了其研究现状及在PON中的重要作用;最后对PON技术的发展趋势进行了展望.     

水热晶化法制备RhCeZrLaNdOx催化剂及其性能研究

采用水热晶化法一步制备了RhCeZrLaNdOx系列催化剂，测定其比表面积、储氧量和还原温度等性能参数，并进行结构和形貌表征，研究了制备过程中水热晶化温度和时间、表面活性剂等条件对催化剂性能、结构和形貌的影响。结果表明，以月桂酸作为表面活性剂，在160℃水热晶化4 h制备的催化剂具有较大的比表面积、较高的储氧量和较低的还原温度，微观结构为四方相的固溶体纳米颗粒。与传统浸渍法制备的Rh/CeZrLaNdOx催化剂比较，水热晶化法制备的催化剂对CO还原NO具有更好的低温催化活性。