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.     

基于小角度高位技术的钻孔初采期瓦斯治理

回采工作面初采期瓦斯涌出不均衡,易出现瓦斯超限现象。针对新源煤矿近距离煤层群开采、瓦斯涌出量大等特点,提出了小角度高位钻孔抽采治理初采期瓦斯的方法;2219工作面应用实践表明,初采期内,小角度高位钻孔抽采瓦斯纯量最高5.25m3/min,瓦斯抽采率64.02%,回风流瓦斯浓度最高为0.32%,上隅角最高瓦斯浓度0.96%,未出现瓦斯超限现象,取得了很好的初采期瓦斯治理效果。     

基于Stateflow电力机车变流器控制设计与实现

某出口型号交流电力机车牵引控制系统要求变流器控制逻辑具备接触器控制、牵引系统数据交互、变流器故障保护、变流器启动自检等功能。针对以上功能,基于MATLAB中的Simulink/Stateflow可视化编程工具进行牵引控制模型的搭建,遵循模块化编程理念,采用较少的程序代码编写实现复杂的逻辑控制模型,生成逻辑清晰的控制功能流程图,进行半实物仿真测试,增强控制模型的可靠性。通过该变流器产品型式试验检验,验证变流器控制逻辑的功能可以满足控制系统的需求。     

锚栓用量对纯锚固岩棉保温系统抗风压性能的影响

采用ETAG 004:2013《外墙外保温薄抹灰系统欧洲技术认证指南》中规定的静态泡沫块法,测试在单位面积上使用不同数量锚栓的岩棉板外保温系统的抗风压性能。通过试验可以得出:在混凝土墙体上单纯采用敲击式锚栓锚固岩棉板外保温系统时,拉伸强度可达12.9 k Pa;单位面积增加锚栓的使用量可以提高系统的抗拉承载力,但在不同条件下增加相同数量锚栓对系统抗风载能力提高的程度不同;在普通混凝土墙中,单纯锚固岩棉板保温系统破坏时,单个锚栓承载力平均值的最大值约为其拉拔承载力的50.3%。     

Interlayer Engineering of Molybdenum Trioxide toward High‐Capacity and Stable Sodium Ion Half/Full Batteries

Orthorhombic molybdenum trioxide (MoO₃) is one of the most promising anode materials for sodium‐ion batteries because of its rich chemistry associated with multiple valence states and intriguing layered structure. However, MoO₃ still suffers from the low rate capability and poor cycle induced by pulverization during de/sodiation. An ingenious two‐step synthesis strategy to fine tune the layer structure of MoO₃ targeting stable and fast sodium ionic diffusion channels is reported here. By integrating partially reduction and organic molecule intercalation methodologies, the interlayer spacing of MoO₃ is remarkably enlarged to 10.40 Å and the layer structural integration are reinforced by dimercapto groups of bismuththiol molecules. Comprehensive characterizations and density functional theory calculations prove that the intercalated bismuththiol (DMcT) molecules substantially enhanced electronic conductivity and effectively shield the electrostatic interaction between Na⁺ and the MoO₃ host by conjugated double bond, resulting in improved Na⁺ insertion/extraction kinetics. Benefiting from these features, the newly devised layered MoO₃ electrode achieves excellent long‐term cycling stability and outstanding rate performance. These achievements are of vital significance for the preparation of sodium‐ion battery anode materials with high‐rate capability and long cycling life using intercalation chemistry.     

Performance investigation on a novel 3D wave flow channel design for PEMFC

Flow field structure can largely determine the output performance of Polymer electrolyte membrane fuel cell. Excellent channel configuration accelerates electrochemical reactions in the catalytic layer, effectively avoiding flooding on the cathode side. In present study, a three-dimensional, multi-phase model of PEMFC with a 3D wave flow channel is established. CFD method is applied to optimize the geometry constructions of three-dimensional wave flow channels. The results reveal that 3D wave flow channel is overall better than straight channel in promoting reactant gases transport, removing liquid water accumulated in microporous layer and avoiding thermal stress concentration in the membrane. Moreover, results show the optimal flow channel minimum depth and wave length of the 3D wave flow channel are 0.45 mm and 2 mm, respectively. Due to the periodic geometric characteristics of the wave channel, the convective mass transfer is introduced, improving gas flow rate in through-plane direction. Furthermore, when the cell output voltage is 0.4 V, the current density in the novel channel is 23.8% higher than that of conventional channel.     

基于粒子群优化和支持向量机的花粉浓度预测模型

为了提高花粉浓度预报的准确率，解决现有花粉浓度预报准确率不高的问题，提出了一种基于粒子群优化（PSO）算法和支持向量机（SVM）的花粉浓度预报模型。首先，综合考虑气温、气温日较差、相对湿度、降水量、风力、日照时数等多种气象要素，选择与花粉浓度相关性较强的气象要素构成特征向量；其次，利用特征向量与花粉浓度数据建立SVM预测模型，并使用PSO算法找出最优参数；然后利用最优参数优化花粉浓度预测模型；最后，使用优化后的模型对花粉未来24 h浓度进行预测，并与未优化的SVM、多元线性回归法（MLR）、反向神经网络（BPNN）作对比。此外使用优化后的模型对某市南郊观象台和密云两个站点进行逐日花粉浓度预测。实验结果表明，相比其他预报方法，所提方法能有效提高花粉浓度未来24 h预测精度，并具有较高的泛化能力。