Contributions of oxygen vacancies to the hydrogen evolution catalytic activity of tungsten oxides

The tungsten trioxide attracts less attention due to the low electron transfer kinetics that hinders the interaction of electrons and ions during the hydrogen evolution reaction (HER). But the oxygen vacancy strategy can inspire its electrocatalytic activity for HER because it has a positive effect on improving the charge transfer and compensating for the weak hydrogen adsorption of the tungsten trioxide. By synthesizing a series of substoichiometric tungsten oxides, we reveal the linear relationship between the catalytic activity and the content of oxygen vacancies, which indicates that the oxygen vacancy strategy is an achievable route to enhance the HER for metal oxides.     

单相并联型有源电力滤波器主电路参数耦合关系研究

单相并联型有源电力滤波器(SAPF)主电路参数之间存在一定的耦合关系,这对各参数值的合理选择有较大的影响。通过分析现有单/三相SAPF主电路交流侧电感以及直流侧电压、电容值等参数的计算方法,得到了具体的单相SAPF电路参数解析表达式。针对所得表达式各变量之间的耦合关系,在MATLAB中进行建模优化分析,得出一套完整的参数设计方案。保证在特定负载下补偿后谐波含量低于2%的综合优化目标。仿真和实验过程验证了所选参数的正确性。     

Excited States and Photodebromination of Selected Polybrominated Diphenyl Ethers: Computational and Quantitative Structure—Property Relationship Studies

This paper presents a density functional theory (DFT)/time-dependent DFT (TD-DFT) study on the lowest lying singlet and triplet excited states of 20 selected polybrominateddiphenyl ether (PBDE) congeners, with the solvation effect included in the calculations using the polarized continuum model (PCM). The results obtained showed that for most of the brominated diphenyl ether (BDE) congeners, the lowest singlet excited state was initiated by the electron transfer from HOMO to LUMO, involving a π–σ* excitation. In triplet excited states, structure of the BDE congeners differed notably from that of the BDE ground states with one of the specific C–Br bonds bending off the aromatic plane. In addition, the partial least squares regression (PLSR), principal component analysis-multiple linear regression analysis (PCA-MLR), and back propagation artificial neural network (BP-ANN) approaches were employed for a quantitative structure-property relationship (QSPR) study. Based on the previously reported kinetic data for the debromination by ultraviolet (UV) and sunlight, obtained QSPR models exhibited a reasonable evaluation of the photodebromination reactivity even when the BDE congeners had same degree of bromination, albeit different patterns of bromination.     

Enhanced electrocatalytic oxygen reduction reaction from organic-inorganic heterostructure

Herein, molybdenum disulfide nanoflakes decorated copper phthalocyanine microrods (CuPc-MoS₂) are synthesized via two step simple hydrothermal method. The as synthesized hybrid along with pure molybdenum disulfide (MoS₂) nanoflower and pure copper phthalocyanine (CuPc) microrods are well characterized by various techniques that confirm phase, morphology, elemental compositions etc. Next, electrocatalytic oxygen reduction reaction towards fuel cell is investigated in alkaline medium and obtained results proclaim that our CuPc-MoS₂ heterostructure outperforms the other two constituent materials. Efficient oxygen reduction is achieved following four electron pathway by CuPc-MoS₂ whereas partial reduction is done through two electron process by CuPc and MoS₂ separately. Long-time durability test reveals almost 97.6% retention after 8000s that eventually dictate us that CuPc-MoS₂ heterostructure can be the efficient cathode electrocatalyst for future generation fuel cell.     

A new approach for deducing the stage-discharge relationship of a triangular broad-crested device

In this paper, the outflow process of a triangular broad-crested device is examined using the dimensional analysis and the incomplete self-similarity theory. A new theoretical stage-discharge relationship is proposed, and its applicability is verified using measurements available in literature.The proposed power equation is characterized by a coefficient depending on device apex angle and a constant value of the exponent.     

芳烃与烯烃烷基化反应的催化机理进展

芳烃与烯烃的反应在有机合成中应用广泛。随着环保要求的提高，用于芳烃烷基化反应的传统催化剂逐渐被新型绿色催化剂所替代。近年来研究发现离子液体和分子筛对该反应具有高效催化作用且环境友好。本文探讨了离子液体和分子筛的酸性，总结了相应的的催化机理，对有关实验和理论研究工作进行了分析。同时揭示了离子液体和分子筛的结构对其催化性能的影响，为烷基化反应进一步研究奠定了基础。分析表明离子液体既能作为B酸，也能作为L酸起催化作用；分子筛主要作为B酸起催化作用，同时其催化性能与孔道结构、孔径大小及反应物尺寸密切相关。离子液体的稳定性较差、成本较高，而分子筛失活较快，未来需围绕提高离子液体稳定性、改进其制备方法以降低成本及改善分子筛结构以延长使用周期等方面展开研究。     

采场覆岩两带与采空区自燃三带相关关系研究

为研究采煤工作面覆岩两带（冒落带、裂隙带）与自燃三带（散热带、窒息带、氧化带）的关系，通过建立覆岩运移模型，应用CDEM软件模拟分析了试验工作面采动空间上覆岩层两带的扩展过程，分析垂向方向覆岩两带分布对水平方向上垮落煤岩堆积状态的影响情况。通过现场埋管实测的手段以及氧体积分数法进行了采空区煤自燃三带的划分。研究表明，冒落带高度稳定情况下，采煤推进距离（48 m）与采空区散热带和氧化带的分界线（进风侧采空区以里50 m左右，回风侧采空区以里40 m左右）有较好的吻合关系。裂隙带高度稳定情况（顶板150 m处的岩层最大下沉值趋于基本稳定）下，采煤推进距离（126 m）与采空区氧化带和窒息带的分界线有较好的对应关系。     

The analysis for morphological evolution and crystallography of degenerate pearlite in 100Mn13 steel

During approximate 773 K aging treatment of 100Mn13 steel, degenerate pearlite will occur and evolve into lamellar pearlite during growth process. The microstructures of degenerate pearlite and its evolutionary lamellar pearlite are observed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results show that after 748 K, 773 K and 798 K aging, degenerate pearlites occur at grain boundary. At growth front of degenerate pearlite forming at 773 K and 798 K, pearlite presents a morphology of short lamellae of carbide and ferrite, indicating a trend of developing into lamellar pearlite. The higher the temperature is, the more obvious the trend is, and even a conventional lamellar pearlite has developed. However, there is no morphological evolution for degenerate pearlite forming at 748 K aging. Besides, the constituents of degenerate pearlite is identified as M₂₃C₆ and ferrite, and Kurdjumov-Sachs orientation relationship exists between them, (01 )_α//( 1 )_M23C6, [111]_α//[110]_M23C6. This orientation relationship maintains in morphological evolution from degenerate pearlite to lamellar pearlite.     

渤海油田复杂压力动态调控技术研究

渤海湾蓬莱油田多年注水开发，储层压力系统复杂，层间矛盾突出，小层间压力差更是达到3~4 MPa。复杂压力体系将导致调整井钻完井复杂情况频发，蓬莱油田多口调整井出现了高压层溢流、低压层漏失等井控情况，严重影响着钻完井作业效率和费用。合理的注采井关调方案是保证调整井安全高效作业的重要手段。基于此背景，利用注水井和采油井生产动态数据，建立了注水指数和产液指数的概念，并基于卡尔曼滤波算法创新性地建立了判断注采关系的新方法，同时结合实际注水井关井压降规律，建立了基于注采关系估计和关井压降规律的注采井关调制度。该研究成果在PL19-3-V41井应用，钻进过程安全顺利，单井少停注水7 000 m³。提出的复杂压力动态调控技术能够为周边注水井关调方案提供科学依据，经济效益显著。     

Spirobifluorene Dimers: Understanding How The Molecular Assemblies Drive The Electronic Properties

Spirobifluorene (SBF) is one of the most important scaffolds used in the design of organic semi-conductors (OSCs) for electronics. In recent years, among all the structures developed for these applications, SBF dimers have been highlighted due to their great potential in thermally activated delayed fluorescence and in phosphorescent organic light-emitting diodes. Attaching two SBF units generate 10 dimers, each possessing its own structural specificity, which in turn drives its electronic properties. These ten SBF dimers are gathered herein. Understanding how the molecular assembly determines the electronic properties has been one of the pillars of organic electronics. This is the goal of this article. As positional isomerism is a key tool to design OSCs, defining the design guidelines for the SBF scaffold appears of interest for the future of this building block. Herein, the importance of the two main parameters involved in the electrochemical and photophysical properties, namely the nature of the phenyl linkages and the steric congestion between the two SBF units is discussed. The combination of these two parameters drives the electronic properties but their respective weight is different as a function of the regioisomer involved or of the property considered (frontier orbitals energy level, absorption, fluorescence, phosphorescence).