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.     

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.

     

Influence of geosynthetic reinforcement on the stability of an embankment with rigid columns embedded in an inclined underlying stratum

Incompressible dipping substrata are commonly encountered in engineering practice. Compared to horizontal underlying strata, the inclined underlying stratum increase the risk of collapse of embankments reinforced with columns because it weakens the restraint of the column base. The objective of this study is to investigate the effectiveness of geosynthetics on improving the embankment stability when the underlying stratum is inclined. The influence of geosynthetic tensile stiffness on the ultimate surcharge and failure mechanism is studied. A deep-seated failure with column tilting occurs when the geosynthetic tensile stiffness is low, whereas a lateral sliding occurs when the geosynthetic tensile stiffness is high. To illustrate the contribution of geosynthetics, the distribution of the lateral pressures acting on the columns is analyzed.     

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。     

In situ Raman spectroscopic study towards the growth and excellent HER catalysis of Ni/Ni(OH)2 heterostructure

The electrochemical water splitting to produce H₂ in high efficiency with earth-abundant-metal catalysts remains a challenge. Here, we describe a simple “cyclic voltammetry + ageing” protocol at room temperature to activate Ni electrode (AC-Ni/NF) for hydrogen evolution reaction (HER), by which Ni/Ni(OH)₂ heterostructure is formed at the surface. In situ Raman spectroscopy reveals the gradual growth of Ni/Ni(OH)₂ heterostructure during the first 30 min of the aging treatment and combined with polarization measurements, it suggests a positive relation between the Ni/Ni(OH)₂ amount and HER performance of the electrode. The obtained AC-Ni/NF catalyst, with plentiful Ni–Ni(OH)₂ interfaces, exhibits remarkable performance towards HER, with the low overpotential of only 30 mV at a H₂-evolving current density of 10 mA/cm² and 153 mV at 100 mA/cm², as well as a small Tafel slope of 46.8 mV/dec in 1 M KOH electrolyte at ambient temperature. The excellent HER performance of the AC-Ni/NF could be maintained for at least 24 h without obvious decay. Ex situ experiments and in situ electrochemical-Raman spectroscopy along with density functional theory (DFT) calculations reveal that Ni/Ni(OH)₂ heterostructure, although partially reduced, can still persist during HER catalysis and it is the Ni–Ni(OH)₂ interface reducing the energy barrier of H1 adsorption thus promoting the HER performance.     

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.     

Fabrication of direct Z-scheme FeIn2S4/Bi2WO6 hierarchical heterostructures with enhanced photocatalytic activity for tetracycline hydrochloride photodagradation

A series of direct Z-scheme FeIn₂S₄/Bi₂WO₆ hierarchical heterostructures with intimate interface contacts were synthesized by in-situ growth route and characterized by systematical analyses. All as-prepared FeIn₂S₄/Bi₂WO₆ nanocomposites showed significantly enhanced photocatalytic activity towards photodegradation for the removal of tetracycline hydrochloride (TCH) in comparison with individual FeIn₂S₄ and Bi₂WO₆. Meanwhile, the highest photocatalytic degradation activity can be achieved by modulating adding amount of FeIn₂S₄ in FeIn₂S₄/Bi₂WO₆ nanocomposites and the optimized component ratio of FeIn₂S₄ to Bi₂WO₆ is determined to be 10 wt%. The enhanced photocatalytic activity could be ascribed to efficient separation between photogenerated holes and electrons based on the construction of direct Z-scheme system. The high photocatalytic stability of resultant 10 wt% FeIn₂S₄/Bi₂WO₆ nanocomposites was revealed through six successive recycling reactions. The main intermediate generated during TCH photodegradation was explored by HPLC-MS. Besides, the direct Z-scheme photocatalytic mechanism was confirmed by band position analysis, electron spin resonance (ESR) and active species capture experiment.