Carbon corrosion mechanism on nitrogen-doped carbon support — A density functional theory study

In this work, density functional theory (DFT) calculations were used to investigate the mechanism of carbon corrosion on nitrogen-doped carbon support. Free energy diagrams were generated based on three proposed reaction pathways to evaluate corrosion mechanisms. The most energetically preferred mechanism on nitrogen-doped carbon was determined. The results show that the step of water dissociation to form ^#OH was the rate-determining step for gra-G-1N (graphene doped with graphitic N) and pyrr-G-1N (graphene doped with pyrrolic N). As for graphene doped with pyridinic N, the step of C^#OC^#O formation was critical. It was found that the control of nitrogen concentration was necessary for precisely designing optimized carbon materials. Abundance of nitrogen moieties aggravated the carbon corrosion. When the high potential was applied, specific types of graphitic N and pyridinic N were found to be favorable carbon modifications to improve carbon corrosion resistance. Moreover, the solvent effect was also investigated. The results provide theoretical insights and design guidelines to improve corrosion resistance in carbon support through material modification by inhibiting the adsorption of surface oxides (OH, O, and OOH).     

Recent Advances in Conjugated Polymers for Visible-Light-Driven Water Splitting

With the ambition of solving the challenges of the shortage of fossil fuels and their associated environmental pollution, visible-light-driven splitting of water into hydrogen and oxygen using semiconductor photocatalysts has emerged as a promising technology to provide environmentally friendly energy vectors. Among the current library of developed photocatalysts, organic conjugated polymers present unique advantages of sufficient light-absorption efficiency, excellent stability, tunable electronic properties, and economic applicability. As a class of rising photocatalysts, organic conjugated polymers offer high flexibility in tuning the framework of the backbone and porosity to fulfill the requirements for photocatalytic applications. In the past decade, significant progress has been made in visible-light-driven water splitting employing organic conjugated polymers. The recent development of the structural design principles of organic conjugated polymers (including linear, crosslinked, and supramolecular self-assembled polymers) toward efficient photocatalytic hydrogen evolution, oxygen evolution, and overall water splitting is described, thus providing a comprehensive reference for the field. Finally, current challenges and perspectives are also discussed.     

Spreading and Curing Behaviors of a Thermosetting Droplet-Silicone on a Heated Surface

Thermosetting materials are widely used as encapsulation in the electrical packaging to protect the core electronic components from external force, moisture, dust, and other factors. However, the spreading and curing behaviors of such kind of fluid on a heated surface have been rarely explored. In this study, we experimentally and numerically investigated the spreading and curing behaviors of the silicone(OE6550 A/B, which is widely used in the light-emitting diode packaging) droplet with diameter of ～2.2 mm on a heated surface with temperature ranging from 25 ℃ to 250 ℃. For the experiments, we established a setup with high-speed camera and heating unit to capture the fast spreading process of the silicone droplet on the heated surface. For the numerical simulation, we built a viscosity model of the silicone by using the Kiuna's model and combined the viscosity model with the Volume of Fluid(VOF) model by the User Defined Function(UDF) method. The results show that the surface temperature significantly affected the spreading behaviors of the silicone droplet since it determines the temperature and viscosity distribution inside the droplet. For surface temperature varied from 25 ℃ to 250 ℃, the final contact radius changed from ～2.95 mm to ～1.78 mm and the total spreading time changed from ～511 s to ～0.15 s. By further analyzing the viscosity evolution of the droplet, we found that the decreasing of the total spreading time was caused by the decrease of the viscosity under high surface temperature at initial spreading stage, while the reduction of the final contact radius was caused by the curing of the precursor film. This study supplies a strategy to tuning the spreading and curing behavior of silicone by imposing high surface temperature, which is of great importance to the electronic packaging.     

Effect of comb-type copolymer on crystallization of paraffin from waxy oils and methyl ethyl ketone (MEK) -toluene dewaxing

In this research, maleic anhydride-α-octadecene copolymer and its derivative with phenylethylamine was synthesized and its effect on the crystallization of paraffins was investigated. This derivative, when added into second cut of vacuum gas oil and forth cut of vacuum gas oil, increases the size and improves aggregation of paraffin crystals observed by polarizing light microscopy, increases onset temperature and enthalpy of paraffin crystallization determined by differential scanning calorimetry, improves the dewaxing efficiency with dosage of 100?ppm explored by MEK-toluene dewaxing.     

Theoretical Prediction of Chiral 3D Hybrid Organic–Inorganic Perovskites

Hybrid organic–inorganic perovskites (HOIPs), in particular 3D HOIPs, have demonstrated remarkable properties, including ultralong charge‐carrier diffusion lengths, high dielectric constants, low trap densities, tunable absorption and emission wavelengths, strong spin–orbit coupling, and large Rashba splitting. These superior properties have generated intensive research interest in HOIPs for high‐performance optoelectronics and spintronics. Here, 3D hybrid organic–inorganic perovskites that implant chirality through introducing the chiral methylammonium cation are demonstrated. Based on structural optimization, phonon spectra, formation energy, and ab initio molecular dynamics simulations, it is found that the chirality of the chiral cations can be successfully transferred to the framework of 3D HOIPs, and the resulting 3D chiral HOIPs are both kinetically and thermodynamically stable. Combining chirality with the impressive optical, electrical, and spintronic properties of 3D perovskites, 3D chiral perovskites is of great interest in the fields of piezoelectricity, pyroelectricity, ferroelectricity, topological quantum engineering, circularly polarized optoelectronics, and spintronics.     

合成丁苯嵌段共聚物的影响因素

采用负离子溶液聚合方法制备了丁苯嵌段共聚物，研究了引发剂、活化剂、偶合剂、终止剂对聚合产物性能的影响。     

太平油田馆陶组下段辫状河储层地震反射假象分析

太平油田位于义和庄凸起北坡东部，主要含油层为馆陶组下段发育的辫状河储层。河流相频繁的决口、改道及辫状河流相砂体发育位置和砂体空间配置关系的特殊性，使得其在地震剖面上产生了反射假象，从而使对辫状河储层层位的追踪及砂体的描述变得异常困难。从馆陶组下段辫状河储层的发育特征及地震观测因素出发，阐述了馆陶组下段辫状河地震反射假象产生的原因。提出了利用地震资料分频解释技术和设计多井约束反演可较为准确地识别辫状河储层的反射假象。     

45号钢二次枝晶臂间距与冷却速度的关系

本文利用可控平均冷却速度的单向凝固实验炉测定了４５号钢在不同平均冷却速度下的冷却曲线，由此得到其在凝固期间的平均冷却速度Ｒ，相应地测量了不同平均冷却速度下试样的二次枝晶臂间距Ｓ２，通过回归，得到了如下关系式：Ｓ２＝７２７Ｒ－０．４１，并将引式成功地应用于实际生产中。     

微计算机控制的造波系统

本文所述系统可在水池中产生单一频率规则波、周期不规则波及"随机波",用于海洋、造 船工程的模型试验,采用频域迭代法和成型滤波器法来产生模拟海浪.尽管这一控制系统是 专为产生模拟海浪而设计的,但其控制方案也可直接用于其他测试技术领域,以产生"随机" 信号.     

内燃机车曲轴中频淬火过程的数值模拟

借助 ANSYS大型有限元分析软件 ,实现了 16 V2 4 0曲轴淬火过程的计算机模拟 ,模拟结果可直观地显示出任一时刻曲轴表面及内部的温度分布、冷却曲线以及淬火结束后的残余应力分布 ,并能预测淬硬层深度。同时对比了轴颈内圆角处进行淬火和不进行淬火两种工艺的效果 ,为现场提供了用虚拟现实方法详尽分析和研究淬火工艺的工具。