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.

     

Fabrication of hierarchical PANI@W-type barium hexaferrite composites for highly efficient microwave absorption

Hexagonal barium ferries is a promising and efficient microwave (MW) absorbing material, but the low dielectric loss and poor conductivity have limited their extensive applications. In this work, a simple tactic of coating conductive polymer PANI on hexaferrite BaCo₂Fe₁₆O₂₇ is presented, wherein the dielectric properties are customized, and more significantly, the electromagnetic loss is greatly enhanced. As displayed from structural characterizations, PANI were coated equably on the surface of hexaferrite grains by an in-situ polymerization process. The outcomes exhibit the as-prepared PANI@hexaferrite composite has remarkable electromagnetic wave absorption capacity. When the thickness is 6.0 mm, the minimal RL of ?40.4 dB was achieved at 2.9 GHz. The effective absorption bandwidth (RL < ?20 dB) of 0.65 GHz, 0.53 GHz, 0.65 GHz, 0.52 GHz, 0.46 GHz and 0.39 GHz was achieved separately when the thickness ranges from 4 to 9 mm. The highly efficient MW absorbing performance of PANI@hexaferrite composite were the consequence of multiple loss mechanisms and perfect impedance matching. It is demonstrated that the PANI@hexaferrite composite with excellent MW absorption performance is expected to be potential MW absorbers for extensive applications.     

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.     

Data sharing mechanism of various mineral resources based on blockchain

Basins with various mineral resources coexisting and enriching often occupy an important strategic position. The exploration of various mineral resources is repetitive at present due to unshared data and imperfect management mechanism. This situation greatly increases the cost of energy exploitation in the country. Traditional data-sharing mode has several disadvantages, such as high cost, difficulty in confirming the right of data, and lack of incentive mechanism, which make achieving real data sharing difficult. In this paper, we propose a data-sharing mechanism based on blockchain and provide implementation suggestions and technical key points. Compared with traditional data-sharing methods, the proposed data-sharing mechanism can realize data sharing, ensure data quality, and protect intellectual property. Moreover, key points in the construction are stated in the case study section to verify the feasibility of the data-sharing system based on blockchain proposed in this paper.     

Two-step method to deposit ZrO2 coating on carbon fiber: Preparation,characterization, and performance in SiC composites

Recently, ceramic matrix composites reinforced by short carbon fibers (CFs) attracted increasing attentions. To further improve mechanical properties and oxidation resistances, CFs were subjected to oxidation and acidification followed by sol-gel dip-coating to deposit ZrO₂ on their surfaces. ZrO₂-C_f/SiC composites were fabricated by joint hot compression molding and sintering, compared to C_f/SiC and SiC prepared by the same method. Microstructural analyses indicated that ZrO₂ coatings were successfully deposited on CF surfaces, formed strong bonding and interfaces between CF and the matrix. Meanwhile, CFs were found uniformly distributed in SiC matrix with random orientations. Flexural curves of ZrO₂-C_f/SiC and C_f/SiC revealed the presence of “false plasticity” regions after sharp drops, which were quite different from brittle flexural behavior of SiC ceramic. Compression strength of the three samples showed step-up growth. ZrO₂-C_f/SiC exhibited the highest value, indicating the introduction of CFs and ZrO₂ coatings do have great influence on mechanical performances. After heat treatment, ZrO₂-C_f/SiC exhibited better oxidation resistance than C_f/SiC, with weight loss ratios estimated to ??3.76% and ??6.43%, respectively. These improved properties indicated that ZrO₂-C_f/SiC would be excellent alternatives to other existence materials under ultra-high temperature environments.     

A novel bio‐based phthalonitrile resin derived from catechin: synthesis and comparison of curing behavior with petroleum‐based counterpart

The development of bio‐based thermosetting resins with good thermal stability can potentially afford sustainable polymers as replacements for petroleum‐based polymers. We report a practical route to a novel catechin‐based phthalonitrile resin precursor (CA‐Ph), which contains free phenolic hydroxyl groups that result in ‘self‐curing’ at elevated temperatures to afford a thermostable polymer. Comparison of the performance of this CA‐Ph resin with that of a conventional petroleum‐based bisphenol A phthalonitrile resin (BPA‐Ph; containing 5 wt% of the curing agent 4,4′‐diaminodiphenylsulfone) revealed that CA‐Ph exhibits a lower melting point and curing temperature. Cured CA‐Ph resin retains 95% of its weight at 520 °C under a nitrogen atmosphere, which compares favorably with results obtained for BPA‐Ph resin that retains 95% of its weight at a lower temperature of 484 °C. Kinetic results indicated that the curing reactions of both CA‐Ph and BPA‐Ph systems follow an autocatalytic mechanism. These results suggest that catechin is a useful bio‐based feedstock for the preparation of self‐curing and thermally stable phthalonitrile resins for advanced technological applications. © 2017 Society of Chemical Industry