Palladium‐Catalyzed C−H Iodination of Arenes by Means of Sulfinyl Directing Groups

C?H iodination of aromatic compounds has been accomplished with the aid of sulfinyl directing groups under palladium catalysis. The reaction proceeds selectively at the peri‐position of polycyclic aryl sulfoxides or at the ortho‐position of phenyl sulfoxides. The iodination products can be further converted via iterative catalytic cross‐coupling at the expense of the C?I and C?S bonds. Computational studies suggest that peri‐C?H palladation would proceed via a non‐directed pathway, wherein neither of the sulfur nor oxygen atom of the sulfinyl group coordinates to the palladium before and at the transition state.     

连续流动-分光光度法测定固体废物中氰化物浸出毒性的研究

建立了一种利用连续流动-分光光度法测定固废中氰化物的浸出毒性的方法,当氰化物浓度在0~200μg/L范围内,校准曲线的相关系数r为0.9998;方法的检出限可以达到0.33μg/L;不同浓度样品测定的相对标准偏差低于2.6%,实际固体废物样品加标回收率为96%~103%,方法精密度良好并且准确度较高;通过实际样品测定结果比对,证明方法与传统国家标准方法测定结果有着较高的吻合度,具有良好的应用前景。     

Contact vibration analysis of the functionally graded material coated half-space under a rigid spherical punch

This paper studies the contact vibration problem of an elastic half-space coated with functionally graded materials (FGMs) subject to a rigid spherical punch. A static force superimposing a dynamic time-harmonic force acts on the rigid spherical punch. Firstly, we give the static contact problem of FGMs by a least-square fitting approach. Next, the dynamic contact pressure is solved by employing the perturbation method. Lastly, the dynamic contact stiffness with different dynamic contact displacement conditions is derived for the FGM coated half-space. The effects of the gradient index, coating thickness, internal friction, and punch radius on the dynamic contact stiffness factor are discussed in detail.     

Snap-through path in a bistable dielectric elastomer actuator

The dielectric elastomer (DE) has attracted significant attention due to its desired features, including large deformation, fast response, and high energy density. However, for a DE actuator (DEA) utilizing a snap-through deformation mode, most existing theoretical models fail to predict its deformation path. This paper develops a new finite element method (FEM) based on the three-parameter Gent-Gent model suitable for capturing strain-stiffening behaviors. The simulation results are verified by experiments, indicating that the FEM can accurately characterize the snap-through path of a DE. The method proposed in this paper provides theoretical guidance and inspiration for designing and applying DEs and bistable electroactive actuators.     

基于光滑粒子流体动力学的滑油泵数值仿真

基于光滑粒子流体动力学方法,构建齿轮泵壳体及内部流体的粒子模型,对内啮合齿轮泵在不同工况下的流量特性进行数值模拟。首先设置了均匀分布的油泵出入口压强,计算得到的流量结果与试验结果吻合,且在中低转速下流量与转速呈线性关系;针对高转速下油泵流量降低的问题,通过适当减小周期模型内部的流体粒子数反映流量降低,获得了与试验值相吻合的连续转速流量的模拟结果;针对影响齿轮泵性能的间隙和空化现象,结合模型特点给出了相应的近似处理方法。通过以上研究,将SPH方法成功地应用于滑油泵问题的分析计算。     

滑坡冲击铲刮变量的计算方法研究

高速远程滑坡运动过程中,冲击铲刮效应不仅增加滑坡的体积与规模,而且会增大滑坡成灾范围,风险预测与判断出现明显误差,导致灾难性事件的发生。目前对于高速滑坡的铲刮深度、铲刮范围和铲刮体积等变量计算往往是采用基于经验的铲刮率算法,其是通过体积增量来反算铲刮变量的数学方法,而实际情况中高速滑坡的冲击铲刮是滑体冲击力和地表可铲刮材料之间的力学屈服破坏作用的结果。本文基于接触力学、弹塑性力学和岩土力学,提出了地表可铲刮层在附加冲击荷载作用下铲刮变量的理论计算方法,认为竖向冲击和切向剪切是滑体冲击铲刮过程的两种主要作用方式。结合实际岩土体材料参数,发现不考虑切向荷载时,铲刮层塑性区主要以竖向破裂区为主,考虑切向荷载时,铲刮层塑性区沿切向迁移,直至塑性边界贯通至地表,符合实际情况,实现了对铲刮变量的定量化计算。     

Simulation of proppant transport at intersection of hydraulic fracture and natural fracture of wellbores using CFD-DEM

Proppants transport is an advanced technique to improve the hydraulic fracture phenomenon, in order to promote the versatility of gas/oil reservoirs. A numerical simulation of proppants transport at both hydraulic fracture (HF) and natural fracture (NF) intersection is performed to provide a better understanding of key factors which cause, or contribute to proppants transport in HF–NF intersection. Computational fluid dynamics (CFD) in association with discrete element method (DEM) is used to model the complex interactions between proppant particles, host fluid medium and fractured walls. The effect of non-spherical geometry of particles is considered in this model, using the multi-sphere method. All interaction forces between fluid flow and particles are considered in the computational model. Moreover, the interactions of particle–particle and particle–wall are taken into account via Hertz–Mindlin model. The results of the CFD-DEM simulations are compared to the experimental data. It is found that the CFD-DEM simulation is capable of predicting proppant transport and deposition quality at intersections which are in agreement with experimental data. The results indicate that the HF–NF intersection type, fluid velocity and NF aperture affect the quality of blockage occurrence, presenting a new index, called the blockage coefficient which indicates the severity of the blockage.     

Reliability study of super-ellipsoid DEM in representing the packing structure of blast furnace

In industrial blast furnaces (BFs), the investigations involving the flow behaviors of particles and the resultant burden structure are essential to optimize its operation stability and energy consumption. With the advance of computing capability and mathematical model, the discrete element method (DEM) specialized in characterizing particle behavior has manifested its power in the investigation of BFs. In the framework of DEM, many particle models have been developed, but which model is more suitable for simulating the particle behaviors of BFs remains a question because real particles in BFs have large shape and size dispersity. Among these particle models, the super-ellipsoid model possesses the ability to change shape flexibly. Therefore, the focus of this study is to investigate whether the super-ellipsoid model can meet the requirement of authenticity and accuracy in simulating the behaviors of particles with large shape and size dispersity. To answer this question, a simplified BF charging system composed of a hopper and a storage bin is established. The charging process and the final packing structure are analyzed and compared between experiments and simulations with different shape indexes. The results show that super-ellipsoid particles have prominent advantages over spherical particles in terms of representing the real BF particles, and it can more reasonably reproduce the flow behaviors and packing structure of experimental particles. The computation cost of super-ellipsoid particles is also acceptable for engineering applications. Finally, the micro-scale characteristics of packing structure is analyzed and the single-ring charging process in industry-scale BF using super-ellipsoid particles is conducted.     

模拟海市蜃楼实验的配液新方案

分析了配制传统模拟海市蜃楼溶液的方法的不足,提出了新的配制溶液的方案,推导出了所配制的溶液浓度梯度随高度的分布公式,从而使实验过程中配液的时间大大缩短,实验现象更加明显,提高了实验的成功率.     

GaN发光二极管表观电容极值分析

利用正向交流(ac)小信号方法对GaN发光二极管的电容-电压特性进行测量,可以观察到GaN发光二极管中的负电容现象。正向偏压越大,测试频率越低,负电容现象越明显。测量到的负电容现象是表象,不存在负电容;提出GaN发光二极管p-n结的结电容在特定的正向电压范围内等效于可变电容。分析可变电容对正向交流小信号响应得到:特定参数的可变电容使结电容电流相位落后于交流小信号电压相位π/2,使得在测量中表现为负电容。发现表观电容-正向电压曲线的极值点与理论模型相吻合,证明了该理论模型的正确性。