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SVD和SSA-VMD降噪的轴承故障特征提取

针对强噪声背景下轴承故障特征提取困难的问题，提出一种基于奇异值分解和参数优化变分模态分解联合降噪的轴承故障特征提取方法(SSVMD)：首先，对原始信号进行奇异值分解(Singular Value Decomposition，SVD)处理，运用奇异值差分谱法选取有效奇异值并将原始信号重构得到初步降噪信号；其次，为防止故障信息丢失，将残余信号进行麻雀算法(Sparrow Search Algorithm，SSA)优化的变分模态分解(Variational Mode Decomposition，VMD）算法处理，得到最佳的模态个数K和惩罚参数α，选取峭度值最大、包络熵最小的IMF分量与初步降噪信号叠加得到最终降噪信号，并对信号进行包络分析；最后，通过仿真和试验数据分析得出，该方法能在信噪比很低的情况下降低噪声含量并提取轴承故障特征，为设备的状态监测和故障诊断提供理论依据。     

Simulation studies on a rotating ring disk electrode: Effects of ionic migration with kinetic complication-disk results

In continuation to my previous work (Guha S. AIChE J. 2013;59(4):1390-1399), in this work, effects of ionic migration are evaluated for disk region of a rotating ring disk electrode system by numerically solving complex differential equations, developed for mass transfer along with kinetic complication in presence of ionic migration under limiting current condition. The system for simulation is 0.01 M Fe₂(SO₄)₃ solution with H₂SO₄ as supporting electrolyte. Simulation cases are presence and absence of ionic migration with kinetic complication (oxidation of Fe²⁺ to Fe³⁺ under O₂ pressure). Results show that concentration boundary layer thickness of reactant Fe³⁺ reduces appreciably and steady-state disk current reduces substantially in presence of migration. Simulated steady-state disk current in absence of migration case agrees well with published data. Results indicate higher Fe²⁺ concentration in presence of migration and thereby higher rate of oxidation of Fe²⁺ to Fe³⁺ at all rate constant values.     

立井过砂岩富含水层工作面预注浆分析

郑煤集团杨河煤业43采区樊寨副立井施工中需要穿过预计涌水量187 m³/h、厚57 m的砂岩含水层。针对第1回次采用普通水泥工作面预注浆、吸浆量少、升压快、效果差、达不到预期目的等不利情况，在后3回次采用大压力，白银水泥、超细水泥等新材料、单孔上下端正反同时注浆新工艺，采用压注清水、水玻璃，利用水玻璃的黏性，反复冲洗钻孔把细小裂隙中锈蚀颗粒带出，打开注浆通道，同时针对竖向裂隙多、横向裂隙不联系，加密钻孔布置，缩小注浆段高，取得了较好的注浆效果。     

木片筛余物高得率半化学法清洁制浆技术研究

以太阳纸业备料车间木片筛选碎料（筛余物）为原料，对其烧碱法半化学制浆的实验室工艺和生产试验进行了研究。结果表明，筛余物采用半化学法制浆可获得较高得率和环压强度的纸浆，且用碱量对纸浆性能有显著影响。相对8%NaOH （相对于绝干原料）化学预处理，采用14%NaOH化学预处理结合两段浆浓22%的高浓磨浆工艺，所制半化学浆抄造浆张的裂断长和环压指数分别达2.89 km和9.76 N·m/g，是前者的1.9倍和1.2倍，而且优于现用国内OCC废纸浆抄造浆张；生产试验得到的浆张性能指标与实验室相吻合，其中紧度和环压强度分别达到GB/T 13023—2008瓦楞芯（原）纸AA级和A级优等品要求。     

Co?N graphene encapsulated cobalt catalyst for H2O2 decomposition under acidic conditions

Hydrogen peroxide (H₂O₂) has been listed as one of the 100 most important chemicals in the world. However, huge amount of residual H₂O₂ is hard to timely decomposed into O₂ and H₂O under acidic condition, easily resulting in explosion hazard. Here, we reported a core–shell structure catalyst, that is graphene with Co N structure encapsulated Co nanoparticles. Co N graphene shell serves as the active site for the H₂O₂ decomposition, and Co core further enhance this decomposition. Benefiting from it, the H₂O₂ decomposition were close to 100% after 6 cycles without pH adjustment, which increased 6 orders of magnitude compared with no catalyst. At the same time, the O₂ generation reached 99.67% in 2 h with little metal leaching, and ·OH has been greatly inhibited to only 0.08%. This work can cleanly remove H₂O₂ with little deep oxidation and protect the process of H₂O₂ utilization to achieve a safer world.     

心源性猝死一级预防植入心律转复除颤器前非持续室性心动过速与植入后恰当治疗的关系

目的探讨植入型心律转复除颤器(implantable cardioverter defibrillator,ICD)用于心源性猝死一级预防时,植入前发生非持续性室性心动过速(non-sustained ventricular tachycardia,NSVT)与植入后ICD恰当治疗的关系。方法本研究为单中心回顾性队列研究,连续纳入2006年1月至2017年12月在北京协和医院住院植入ICD用于一级预防的心脏病患者,患者在住院期间ICD植入前均完善Holter检查。根据Holter检查是否出现NSVT,将患者分为NSVT组及无NSVT组。门诊或电话随访至2018年8月,随访事件包括全因死亡、植入后ICD放电治疗及抗心动过速起搏(antitachycardia pacing,ATP)治疗情况。结果纳入60例符合入选和排除标准的患者,随访时间37 (14～61)个月,KaplanMeier生存曲线及Log-Rank检验提示,NSVT组与无NSVT组相比,全因死亡率无统计学差异(P=0. 108),NSVT组恰当治疗的风险高于无NSVT组(P=0. 033),NSVT和左心室射血分数与ICD恰当治疗独立相关(NSVT:HR=5. 099,95%CI:1. 399～18. 588,P=0. 014;左心室射血分数:HR=1. 077,95%CI:1. 013～1. 145,P=0. 018)。结论 ICD一级预防患者植入前出现NSVT提示接受ICD恰当治疗的风险增加。