Theoretical study on a kind of cyclization mechanism of boron trichloride and hexamethyldisilazane to form the borazine ring for SiBCN ceramics precursor

Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl₃) and hexamethyldisilazane (HN(SiMe₃)₂) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl₃ and HN(SiMe₃)₂ to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl₃ and HN(SiMe₃)₂ alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl₃ with more heat released compared to that for the introduction of HN(SiMe₃)₂. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions.     

一株产羧酸酯酶菌的鉴定及酯酶特征的研究

目的:鉴定中国白酒发酵过程中的微生物种类，研究关键酶的特征与作用机制有利于提高白酒的优质品率。方法:本研究用形态学和生理学、16S rRNA、gyr B基因和antiSMASH分析的方法对酒曲中的一株微生物进行了验证；对该菌株的特性进行了研究，采用分子建模的方法获得了羧酸酯酶的3D模型，用分子对接的方法探讨了该菌株的羧酸酯酶的机理。结果:该菌株为产羧酸酯酶的革兰氏阴性菌Pb1（MW580690）；该菌株呈现典型的S型生长曲线，产物曲线为S型，羧酸酯酶活化最优pH范围为5.0~9.0。分子对接结果显示Phe21A为该酶具有催化活性的主要氨基酸，水解三丁酸甘油酯为丁酸和甘油。分子对接结果显示三丁酸甘油酯经过构象变化被转移到催化中心后，进一步被加工；酶的亲水性和疏水性的相互作用表面有利于配体向下转移，进而从疏水性通道释放产物到的酶表面。结论:产羧酸酯酶的菌株为贝莱斯芽胞杆菌，并为羧酸酯酶水解三丁酸甘油酯类物质的底物识别、转移和催化机理提供了新的见解。     

亲子乐园空调送风方式的数值模拟研究

大型综合室内亲子乐园属于高大空间,设有游乐设施和游戏的特殊性使得对空间的舒适性要求一致,但是送风气流遇阻严重,室内存在较多气流死角,影响室内空气质量和儿童健康。因此其空调设计不仅需要考虑温度、风速的空间均匀度,还要考虑各点的空气龄和PMV-PPD指标。以天津某亲子乐园为研究对象,利用scSTREAM软件对适用于该房间的辐射供冷加新风、置换通风、混合通风三种空调方式的送风效果进行数值模拟分析,从流场的均匀性、人员的热舒适性等方面对模拟结果进行探讨,研究结果表明辐射供冷加新风方式的空间均匀性和PMV指标最佳,混合通风方式的空气龄最小。     

75 t/h循环流化床锅炉降低NOx排放技术

近年来,我国对环境保护的要求越来越高,电厂烟气NOx排放指标多次进行了修改。国内绝大多数运行时间超过10年以上的老电厂,尤其是低参数小机组电厂的NOx排放都不达标。文章介绍了五阳热电厂4×75 t/h循环流化床锅炉通过技术改造降低NOx排放指标的成功经验,供同类型机组借鉴。     

陕南山地烟田不同植烟年限土壤养分的变化

为给陕南山地烟草生产布局及有针对性的施肥措施提供依据,分析了陕南山地烟田不同植烟年限(0~15年)与土壤养分含量的关系。结果表明:随着植烟年限延长,有机质线性下降,全氮和速效钾显著上升,有效磷先上升后下降;氯、有效铁、有效锰、有效硼和有效铜无显著变化或变化很小,有效锌则在第1年急剧下降,之后保持稳定,10年后再次显著下降。认为陕南山地烟区烟叶生产中应适当增加有机肥的施用而合理控制氮肥、磷肥和钾肥的施用,并要注意锌肥的补充。     

In situ characterization of LiY(WO4)2 nanotubes for electrochemical energy storage

Here, LiY(WO₄)₂ nanotubes are prepared via a feasible electrospinning technique. This new anode material shows excellent electrochemical properties. The capacity loss of LiY(WO₄)₂ nanotubes is as low as 6.9% after 156 cycles, while bulk LiY(WO₄)₂ presents the capacity loss higher than 55.0%. Even after 600 long-life cycles, the capacity loss of the nanotubes is only 9%. It can be seen that the hollow structure with a rough surface and a porous morphology contributes to the improvement of electrochemical performance. Furthermore, online X-ray diffraction (XRD) method is firstly applied to understand the lithium ions insertion/extraction mechanism of LiY(WO₄)₂ nanotubes. It can be concluded that it is an asymmetrical two-phase reaction. A phase transformation from LiY(WO₄)₂ to Li₃Y(WO₄)₂ can be obviously seen from the in situ XRD during discharge process. While Li₂Y(WO₄)₂ appears as an intermediate phase with a reverse charge reaction. In addition, in situ XRD also demonstrates that LiY(WO₄)₂ nanotubes have surprised electrochemical reversibility. All the above results indicate that LiY(WO₄)₂ nanotubes can be expected to be anode candidate for rechargeable lithium ion batteries (LIBs).     

高校实验室计算机网络故障诊断技术研究

为了提升高校实验数据处理水平,高校实验室的相关建设工作已经步入正轨,但层出不穷的信息安全问题也向高校实验室计算机网络维护工作提出了新的挑战。文章从现阶段高校实验室计算机网络的相关建设工作出发,简要论述引发网络故障的具体原因,并对其诊断技术进行探讨。     

嵌入式实时操作系统内核混合代码的自动化验证框架

"如何构造高可信的软件系统"已成为学术界和工业界的研究热点.操作系统内核作为软件系统的基础组件，它的安全可靠是构造高可信软件系统的重要环节.为了确保操作系统内核的安全可靠，将形式化方法引入到操作系统内核验证中，提出了一个自动化验证操作系统内核的框架.该验证框架包括：（1）分别对C语言程序和混合语言程序（C语言和汇编语言）进行验证；（2）在混合语言程序验证中，为汇编程序建立抽象模型，并将C语言程序和抽象模型粘合形成基于C语言验证工具可接收的验证模型；（3）从规范中提取性质，基于该自动验证工具，对性质完成自动验证；（4）该框架不限于特定的硬件架构.成功地运用该验证框架对两种不同硬件平台的嵌入式实时操作系统内核μC/OS-II进行了验证.结果显示：利用该框架在对两个不同的硬件平台上内核验证时，框架的可重复利用率很高，高达到88%，虽然其抽象模型需要根据不同的硬件平台进行重构.在对基于这两种平台的操作系统内核验证中，分别发现了10~12处缺陷.其中，在ARM平台上两处与硬件相关的问题被发现.实验表明，该方法对不同硬件平台的同一个操作系统分析验证具有一定的通用性.     

Silver-plated polyamide fabrics with high electromagnetic shielding effectiveness performance prepared by in situ reduction of polydopamine and chemical silvering

In this article, the silver-plated polyamide fabrics (SPPAFs) with high electroconductibility and shielding effectiveness were fabricated by using in situ reduction of polydopamine and chemical silvering. The effects of SPPAFs dopamine (C₈H₁₁O₂N) and silver nitrate (AgNO₃) concentration on surface resistivity and electromagnetic interference shielding effectiveness were studied. The results showed that the surface resistivity of SPPAFs can reach a minimum value of 0.06 ± 0.014 Ω cm⁻¹, when C₈H₁₁O₂N concentration is 4 g L⁻¹ and the AgNO₃ concentration is 120 g L⁻¹. The shielding effectiveness of SPPAFs in the wide frequency range of 10–3000 MHz increases with the increase in the concentration of AgNO₃, and increases first and stabilizes afterward with increasing C₈H₁₁O₂N concentration. When the concentration of C₈H₁₁O₂N and AgNO₃ is 3 and 120 g L⁻¹, respectively, mean shielding effectiveness values in the low-, medium-, and high-frequency bands are 71.3, 73.8, and 76.1 dB, respectively. Moreover, the mean shielding effectiveness values is 83.79 dB in the frequency range of 1.2–2.3 GHz. The dominant shielding mechanism of SPPAFs is the reflected electromagnetic waves and the absorption shielding effectiveness is less than 2 dB. The average electromagnetic shielding values of SPPAFs are above 67 dB after 16 weeks of storage, when C₈H₁₁O₂N concentration is 4 g L⁻¹ and the AgNO₃ concentration is 80 and 100 g L⁻¹. The prepared SPPAFs show promising applications in military textiles and smart wearable clothing. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 48227.