Photoactive Earth‐Abundant Iron Pyrite Catalysts for Electrocatalytic Nitrogen Reduction Reaction

The generation of ammonia, hydrogen production, and nitrogen purification are considered as energy intensive processes accompanied with large amounts of CO₂ emission. An electrochemical method assisted by photoenergy is widely utilized for the chemical energy conversion. In this work, earth‐abundant iron pyrite (FeS₂) nanocrystals grown on carbon fiber paper (FeS₂/CFP) are found to be an electrochemical and photoactive catalyst for nitrogen reduction reaction under ambient temperature and pressure. The electrochemical results reveal that FeS₂/CFP achieves a high Faradaic efficiency (FE) of ≈14.14% and NH₃ yield rate of ≈0.096 µg min^?1 at ?0.6 V versus RHE electrode in 0.25 m LiClO₄. During the electrochemical catalytic reaction, the crystal structure of FeS₂/CFP remains in the cubic pyrite phase, as analyzed by in situ X‐ray diffraction measurements. With near‐infrared laser irradiation (808 nm), the NH₃ yield rate of the FeS₂/CFP catalyst can be slightly improved to 0.1 µg min^?1 with high FE of 14.57%. Furthermore, density functional theory calculations demonstrate that the N₂ molecule has strong chemical adsorption energy on the iron atom of FeS₂. Overall, iron pyrite‐based materials have proven to be a potential electrocatalyst with photoactive behavior for ammonia production in practical applications.     

Comparative evaluation of microwave‐assisted extraction and preheated solvent extraction of bioactive compounds from a plant material: a case study with cabbages

Preheated solvent extraction (PSE) was evaluated via the analysis of the extraction kinetics, microstructure of extracted samples and energy consumption as alternative to microwave‐assisted extraction (MAE). Cabbage outer leaves and ethanol were used as test material and extraction solvent, respectively. MAE was first optimised in terms of glucosinolates and phenolics yields; total antioxidant activity of the extracts was also assessed. MAE at a specific absorbed power of 0.37 W g^?1 for 9 min was selected as optimum condition to extract glucosinolates and phenolics, while PSE was optimised at 6 min of the extraction. The highest normalised total glucosinolates and phenolic contents as well as antioxidant activities of the extracts obtained via MAE were not significantly different from those obtained via PSE. Confocal laser scanning microscopy revealed no significant differences in cabbage cell damages rendered by MAE and PSE. PSE nevertheless exhibited slightly higher specific energy consumption than MAE.     

Novel mixed ligand complexes of Co(II), Ni(II), Cu(II), and Zn(II) with 1,10-phenanthroline and acesulfame. Synthesis,structural analysis and hydrogen adsorption study

Four novel metal organic framework (MOF) structures containing acesulfame (ace) and 1,10-phenanthroline (phen) ligands of Co²⁺, Ni²⁺, Cu²⁺ and Zn²⁺ metal cations were synthesized. The crystal structure analysis of three compounds (1, 2, and 3) was also performed. The structural formula for complex 4 is proposed based on spectroscopic and thermal analysis data. It has been determined that structures 1, 2, and 4 are in a distorted octahedral geometry. It has been suggested that the charge balance of the coordination sphere with 2+ is provided by two monoanionic ace ligands located outside the coordination sphere as counter-ion. In structure 3, there are two Cu^II metal cations, two phen ligands coordinated as bidentate to each metal cation and ace ligand that provides monoanionic-monodentate coordination. The Cu²⁺ cation has distorted bipyramidal geometry. The maximum hydrogen gas adsorption has been found 1.4575 mL/g (0.046 wt%) for the Ni complex.     

Interface reaction between alloys and submerged entry nozzle controlled by an electric current pulse

To solve the limitations of clogging and erosion of the submerged entry nozzle (SEN) for the production of high-quality special steel, the chemical reactivity between different alloys and the SEN and the interface reaction between alloys and the SEN controlled by an electric current pulse (ECP) were examined in this study. Results revealed that the chemical reactivity between different alloys and the SEN is different. For example, the reactivity between rare-earth metal and the SEN was strong, while that between Al and the SEN was extremely weak. At the same time, some differences between the clogging and interface reaction by ECP control were observed. Typically, at the positive electrode of the SEN, when a stable and dense clogging layer is formed, the internal SEN was effectively protected. However, at the negative electrode of the SEN, the decarburization rate of the SEN was accelerated by ECP, probably leading to a vicious circle of accelerated clogging and erosion of the SEN. Therefore, in the future, issues of clogging, erosion, infiltration, and decarbonization between active alloys and the SEN in the casting process may be solved and regulated by using the positive electric field of ECP. Meanwhile, the gain effect of ECP also helped to promote the homogenization of molten steel.     

Systematic study of Nd~(3+) on structural properties of ZnO nanocomposite for biomedical applications; in-vitro biocompatibility,bioactivity, photoluminescence and antioxidant properties

Owing to the inconformity in ionic radius between Nd~(3+) and Zn~(2+), the successful incorporation of Nd~(3+) ion into the ZnO nanocrystals still remains a great challenge. In the present study various doping ratios containing 1 wt%, 5 wt%, 7 wt% and 10 wt% of Nd~(3+) doped ZnO nanoparticles(Nd/ZnO NPs) were synthesized in which a bio-layer caped the NPs. SEM/EDX analysis was performed on the ZnO and Nd/ZnO NPs. In addition, the as-synthesized NPs were characterized using X-ray diffraction(XRD), dynamic light scattering(DLS), differential reflectance spectroscopy(DRS) and photoluminescence(PL) spectroscopy.The average size of Nd(5 wt%)/ZnO NPs was in the range of 6.22 and 15 e18 nm based on XRD and SEM techniques, respectively. The measured band gap values for pure ZnO and Nd/ZnO NCs with doping ratios of 1 wt%, 5 wt%, 7 wt% and 9 wt% were equal to 3.46, 3.26, 3.05, 3.25 and 3.29, respectively. After inhalation, nanoparticles first interact with lung surfactant system and accordingly their toxic effects will appear on lungs cells such as A549 cell line. The effect of Nd/ZnO NPs to interact by human A549 cell line was evaluated by means of cell viability test. According to cell viability test the concentrations of 0.3 and 0.5 mg/mL of Nd/ZnO NPs induce a low toxicity. The present study shows that these toxic effects of Nd/ZnO NPs can be rectified by capping its surface via the addition of a bio-layer around particles in order to prevent them from interacting A549 cell line.     

稀土Y对气雾化制备PH13-8Mo钢粉末特性的影响

摘要：研究了不同含量的稀土Y对选区激光熔化技术(SLM)用PH13 8Mo钢粉末特性的影响，并通过Thermo-Calc热力学软件、粉体综合特性测试仪、霍尔流速计、激光粒度分析仪、扫描电镜和电子探针等方法对不同Y含量的PH13-8Mo钢粉末特性的变化规律进行研究。结果表明，随着金属粉末中Y含量的增加，金属粉末的松装密度从3.73提高到3.93g/cm3，50g粉末的自由流动时间从25.44减小到25.11s，粉末的流动性变好。同时，PH13 8Mo钢粉末的平均粒径从37.29减小到30.99μm，粉末的粒度分布区间变窄。研究还发现，不含Y的PH13-8Mo钢粉末的组织由树枝晶和等轴晶组成，而Y质量分数为0.080%的PH13 8Mo钢粉末的组织均由等轴晶组成。综上，在PH13.8Mo钢粉末中加入稀土Y，粉末的特性得到优化。     

运用空腔效应选择煤衍生油提酚萃取剂

为缩小煤衍生油提酚萃取剂的筛选范围,减少试验次数,对富含酚类化合物的典型煤衍生油进行单体酚分析及中性油组分的定性分析,运用空腔效应和键能数据相结合的方法在众多有机溶剂中进行煤衍生油提酚萃取剂的筛选,通过计算得出萃取过程中消耗的能量,缩小筛选范围。结果表明,典型煤衍生油酚油馏分中酚类化合物主要以苯酚和甲酚等低级酚为主,中性油主要以茚和萘等单环或双环芳烃为主。烷烃和芳香烃类的惰性溶剂萃取时消耗能量-2~1 k J/mol,不适合作为煤衍生油提酚萃取剂。而醇类、羧酸类、醚类、酮类、胺类等与酚类化合物分子间存在氢键的溶剂萃取时消耗能量-80~20 k J/mol,初步筛选适合作为煤衍生油提酚萃取剂。醇类和羧酸类等分子内存在氢键的溶剂比醚类、酮类和胺类等分子间只存在范德华键的溶剂在萃取过程中需消耗更多的能量。     

Magnetocaloric effect in Gd(1−y)DyyAl2

In this work we calculate the magnetic properties and the magnetocaloric effect in Gd_1−yDy_yAl₂ (y = 0, 0.25, 0.5, 0.75 and 1). The model Hamiltonian includes contributions from the Zeeman effect, the crystalline electrical field anisotropy and the exchange interactions among Gd–Gd, Gd–Dy and Dy–Dy ions. To obtain a composite with ΔS_T as constant as possible in the temperature range from T = 60 K to 170 K, the appropriate concentrations of the five compounds investigated were calculated using the Smaili and Chahine method. The magnetization and ΔS_T dependences on temperature in the composite were simulated and compared with the partial contributions of the single magnetic component materials. Also, the magnetic field dependence on magnetization was investigated in Gd_0.25Dy_0.75Al₂, where the discontinuous spin reorientation transitions were predicted for magnetic fields lower than 2 T, applied along <110> direction.     

Adsorption Characteristics of Trivalent Rare Earths and Chemical Stability of a Silica-Based Macroporous TODGA Adsorbent in HNO3 Solution

In order to separate trivalent minor actinides (Am and Cm) from high-level liquid waste generated in a nuclear fuel reprocessing process, a silica-based macroporous TODGA (N,N,N′,N′-tetraoctyl-3-oxapentane-1,5-diamide) adsorbent (TODGA/SiO₂-P) was prepared. In this study, the adsorption characteristics of some trivalent rare earths (Y, Nd, and Eu), whose separation behaviors were similar to those of the minor actinides from HNO₃ solution with the TODGA/SiO₂-P adsorbent, and the chemical stability of the adsorbent against the HNO₃ solution were evaluated experimentally. It was found that the adsorbent exhibited a quite strong adsorption especially for Y(III). The standard enthalpy change for the Y(III) adsorption was determined to be ?2.5kJ·mol^?1 using the van't Hoff equation, which indicates that the adsorption was an exothermic reaction. The results of chemical stability experiments showed that the adsorbent had relatively excellent properties in long-time contact with the HNO₃ solution.