Theoretical investigation of solvent effects on the selective hydrogenation of furfural over Pt(111)

It was well known that solvent effect plays a very important role in the catalytic reaction. There are many theoretical studies on the solvent effect in homogeneous catalysis while there are few theoretical studies on the solvent effect in the heterogeneous catalytic reaction and there has been no work to investigate the solvent effect on furfural transformation in heterogeneous catalysis. In the present work, both the density functional calculations and the microkinetic analysis were performed to study the selective hydrogenation of furfural over Pt(111) in the presence of methanol as well as toluene and compared with that in the gas condition. The present results indicated that the methanol can enhance the adsorption strength of furfural and other oxygen-containing reaction species due to its relatively strong polarity properties and this can be a main reason for solvent-induced high activity and selectivity. Another reason is that reaction paths study showed that the presence of methanol solvent makes the dehydrogenation of furfural less thermochemical due to the fact that furfural is more stabilized than that of dehydrogenation species, and methanol also has an inhibition effect on the dehydrogenation of furfural in the kinetic aspect, and further energetic span theory proves highest activity and selectivity for hydrogenation in methanol solvent of vapor, methanol and toluene. Moreover, microkinetic model simulation demonstrated that the activity and selectivity of hydrogenation in methanol is both higher than that in vapor and toluene. The much higher activity in methanol is due to the stabilized adsorbed reactants in the surface, which leads to a higher surface coverage of furfural. It might be proposed based on the present work that a solvent with relatively strong polarity may be favorable for the high selective hydrogenation of furfural.     

苯乳酸抑制链格孢霉作用靶位的分析

以从自然腐败的樱桃上分离的链格孢霉（Alternaria sp.）LD3.0086为指示菌，研究苯乳酸对链格孢霉的主要抑制作用靶位。应用分光光度法测定苯乳酸对链格孢霉的最小抑菌浓度，通过卡尔科弗卢尔荧光增白剂染液（calcofluor white，CFW）染色观察苯乳酸对菌丝顶端生长的破坏作用，利用扫描电子显微镜和透射电子显微镜观察链格孢霉的超微结构变化，通过测定苯乳酸作用前后链格孢霉上清液中N-乙酰葡萄糖胺质量浓度变化研究苯乳酸对菌丝细胞壁的破坏作用，应用荧光双染色法观察苯乳酸对链格孢霉菌丝细胞膜的损伤作用。结果表明，12.5 mmol/L的苯乳酸能有效抑制链格孢霉的生长；与对照组（无菌水处理）相比，苯乳酸处理后链格孢霉顶端生长细胞无明显形变，经12.5 mmol/L苯乳酸处理的链格孢霉上清液中N-乙酰葡萄糖胺质量浓度基本不变；苯乳酸处理24 h，链格孢霉菌丝细胞壁表面无明显损伤，细胞内结构发生明显变化；苯乳酸短时间（4 h）处理链格孢霉，菌丝细胞膜仍较为完整，加入苯乳酸较长时间（8 h）后细胞膜发生破裂。综合分析可知，苯乳酸对链格孢霉的主要作用靶位应不是菌丝体的细胞壁和细胞膜，而是在菌丝体内部，通过破坏菌丝内部细胞器结构或引起细胞内的生化反应，从而抑制链格孢霉的生长和繁殖，发挥抑菌活性。     

井工转露天采区顶板厚度不足诱发滑坡问题研究

井工转露天开采是安全生产遇到的新问题。以紫金山金铜矿为背景，利用数值模拟法系 统研究了井 工转露天开采工况下顶板厚度从 68 m 逐渐减小至 44 m 时顶板的安全性，界定出顶板最小安 全厚度为 45 m。同时 系统研究了顶板厚度变化对上部边坡应力场的影响特点，得出随着顶板变薄坡脚处塑性破坏区 增大，导致边坡稳 定性变小的规律，并通过边坡稳定性分析计算验证其正确性。因此在井工转露天开采过程中， 为了确保安全生产 需要确保顶板有足够的厚度，避免作业设备和工作人员坠入老井采区及滑坡灾害发生。     

Classification of DoS Attacks in Smart Underwater Wireless Sensor Network

As per the most recent literature, Orthogonal Frequency Division Multiplexing (OFDM), a multi access technique, is considered most suitable for the 3G, 4G and 5G techniques in high speed wireless communication. What made OFDM most popular is its ability to deliver high bandwidth efficiency and superior data rate. Besides it, high value of peak to average power ratio (PAPR) and Inter Carrier Interference (ICI) are the challenges to tackle down via appropriate mitigation scheme. As a research contribution in the present work, an improved self-cancellation (SC) technique is designed and simulated through Simulink to mitigate the effect of ICI. This novel proposed technique (Improved SC) is designed over discrete wavelet transform (DWT) based OFDM and compared with conventional SC scheme over different channel conditions i.e. AWGN and Rayleigh fading environments. It is found that proposed DWT-OFDM with Improved SC scheme outperforms conventional SC technique significantly, under both AWGN and Rayleigh channel conditions. Further, in order to justify the novelty in the research contribution, a Split-DWT based Simulink model for Improved SC scheme is investigated to analyse the BER performance. This Split-DWT based Simulink model presented here foretells the future research potential in wavelet hybridization of OFDM to side-line ICI effects more efficiently.

     

Research on phase shift characteristics of electromagnetic wave in plasma

The phase shift characteristics reflect the state change of electromagnetic wave in plasma sheath and can be used to reveal deeply the action mechanism between electromagnetic wave and plasma sheath. In this paper, the phase shift characteristics of electromagnetic wave propagation in plasma were investigated. Firstly, the impact factors of phase shift including electron density,collision frequency and incident frequency were discussed. Then, the plasma with different electron density distribution profiles were employed to investigate the influence on the phase shift characteristics. In a real case, the plasma sheath around the hypersonic vehicle will affect and even break down the communication. Based on the hypersonic vehicle model, we studied the electromagnetic wave phase shift under different flight altitude, speed, and attack angle. The results indicate that the phase shift is inversely proportional to the flight altitude and positively proportional to the flight speed and attack angle. Our work provides a theoretical guidance for the further research of phase shift characteristics and parameters inversion in plasma.     

基于Web的3D模型浏览与交互系统的研究与实现

设计了基于Web的3D模型浏览与交互系统，主要采用基于WebGL的第三方库Three.js来实现。该系统的建立主要包括场景的构建、场景的交互控制和模型的云存储。模型是场景构建的前提，用户可从外部导入所需模型或利用系统自带的简单模型进行模型的构建。场景交互技术主要包括模型的平移、旋转、缩放、拾取、剖切、3D动画模型的播放以及信息的显示等。模型的云存储是指用户可以通过登录账户将3D模型存储到服务器，日后需要时直接从服务器中加载即可。     

面向草莓抓取的气动四叶片软体抓手研制

农林业中果蔬的自动化采摘需求日趋强烈,末端抓手是实现无损采摘的关键。传统的末端抓手以刚性结构居多,现有的各种柔性抓手也存在抓取力不足、包覆性不佳等缺点。本文以草莓的无损采摘为研究对象,提出将草莓外部轮廓曲线作为设计曲线,设计了一种新型气动四叶片软体抓手。首先,对软体抓手的结构做仿真优化,提出一种安全地附着在目标物表面的设想。然后,在进行草莓表面的最小破坏应力试验的基础上,测试了软体抓手的末端力,验证了其实现无损抓取的可行性。再次,利用动态捕捉技术,研究了软体抓手叶面的弯曲变形规律。最后,选择使用弧线型气体通道的软体抓手进行了草莓抓取测试,结果证明了气动四叶片软体抓手可以实现草莓的无损抓取,抓取成功率达90%,破损率为2%,表明所研制的四叶片软体抓手用于草莓抓取时具有良好的稳定性和实用性,可用于草莓采摘的末端执行器。本研究也可为其他易损果蔬的采摘技术提供理论基础和技术支撑。     

Evaluation of bismuth doped La2-xBixNiO4+δ (x = 0, 0.02 and 0.04) as cathode materials for solid oxide fuel cells

Bismuth doped La_2-xBi_xNiO_4+δ (x = 0, 0.02 and 0.04) oxides are investigated as SOFC cathodes. The effects of Bi doping on the phase structure, thermal expansion, electrical conduction behavior as well as electrochemical performance are studied. All the samples exist as a tetragonal Ruddlesden-Popper structure. Bi-doped LBNO-0.02 and LBNO-0.04 have good chemical and thermal compatibility with LSGM electrolyte. The average TEC over 20–900°С was 13.4 × 10^?6 and 14.2 × 10^?6 K^?1 for LBNO-0.02 and LBNO-0.04, respectively. The electrical conductivity was decreasing with the rise of Bi doping content. EIS measurement indicates Bi doping can decrease the ASR values. At 750 °C, the obtained ASR for LBNO-0.04 is 0.18 Ωcm², which is 56% lower than that of the sample without Bi doping, suggesting Bi doping is beneficial to the electrochemical catalytic activity of LBNO cathodes.     

Synthesis of Diamond@SiO2@Ag composite materials for high SERS effect

Among various carbon materials, diamond stands out due to excellent physical and chemical properties. In this work, we designed Dia@SiO₂@Ag composites combining diamond micropowder and Ag nanoparticles by a simple chemical method and obtained stable substrate for surface enhanced Raman scattering (SERS) owing to its high surface-to-volume ratio, low density, as well as close bond between diamond and Ag. As-prepared Dia@SiO₂@Ag presented high activity to detect crystal violet and rhodamine 6G molecules, which was demonstrated by significantly enhanced SERS spectra and high enhancement factor values (10⁸-10⁹). Moreover, Dia@SiO₂@Ag also showed desired sensitivity, which was investigated by detection limit. Therefore, our study provided more theoretical support and broadened the functional applications of diamond, particularly in Raman detection.