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.     

Effect of Li2O on the crystallization behavior of CaO-Al2O3-SiO2-Li2O-Ce2O3 mold slags

The effect of Li₂O on the crystallization properties of CaO-Al₂O₃-SiO₂-Li₂O-Ce₂O₃ slags was investigated. With increasing the Li₂O content, LiAlO₂ and CaCeAlO₄ were the main crystalline phases. LiAlO₂ formed for the charge compensating of Li⁺ ions to [AlO₄^5?]-tetrahedrons, and CaCeAlO₄ formed as a result of the charge balance of Ce³⁺ ions, Ca²⁺ ions, and [AlO₆^9?]-octahedrons. Increasing the content of Li₂O to 10%, the crystallization temperature was the highest, and the incubation time was the shortest. The crystallization ability was strong due to the three factors of strengthening the interaction between ions and ion groups, decreasing the polymerization degree, and increasing the melting temperature. Further increasing the content of Li₂O, the crystallization performance was obviously suppressed, because the melting temperature and the force between the cations and the anion groups decreased.     

Recent activities in the field of Nuclear Operational Management and Nuclear Safety Engineering

Recent activities in the field of Nuclear Operational Management and Nuclear Safety Engineering, the studies related to risk analysis methodology, design, and operational management, physical phenomena, and emergency preparedness and nuclear security, have been progressed. Especially, ‘risk analysis methodology’ and ‘design and operational management’ are the main categories of the field, in which more than half of published articles on Journal of Nuclear Science and Technology are related to these categories.     

碳酸盐岩岩溶储层多井评价方法及地质应用

多井评价是建立在单井精细解释对比分析基础上的预测储层及含油气性平面分布规律的技术方法,而常规测井资料无法区分碳酸盐岩岩溶储层,因而利用多井评价结果确定岩溶发育程度在平面上的分布规律就显得十分重要。为此,在岩心标定成像测井的基础上,对四川盆地高石梯—磨溪地区15口井的成像测井岩溶发育特征进行分析,建立了中二叠统茅口组岩溶发育各分带的标准成像图版,利用交会图及直方图分析各分带的常规测井响应特征,在此基础上形成了电成像测井刻度常规测井识别岩溶发育带的新方法。研究结果表明:①高石梯—磨溪地区茅口组岩溶带自上而下可划分为风化壳残积带、垂直渗流岩溶带、水平潜流岩溶带以及受岩溶作用较弱的基岩;②风化壳残积带在成像测井图像显示为"暗—亮—暗"条带状模式,垂直渗流岩溶带为垂直线状与暗色斑状组合模式,水平潜流岩溶带为水平线状—层状与斑状组合模式,基岩整体显示为亮色块状模式偶见线状或斑状特征;③有效储层主要发育在垂直渗流带和水平潜流带的顶部;④该区茅口组岩溶发育主要受裂缝发育控制,而裂缝发育又与断层关系密切。结论认为,该新方法对碳酸盐岩岩溶储层的多井评价具有普遍适用性,为四川盆地中二叠统风险探井的部署提供了技术支撑。     

Effect of steel slag on 3D concrete printing of geopolymer with quaternary binders

A new type of 3D-printable ‘one-part’ geopolymer was synthesized with fly ash (FA), granulated blast furnace slag (GBFS), steel slag (SS) and flue gas desulfurization gypsum (FGD). The effects of SS content (0–40%) on the rheological properties, 3D-printability, mechanical anisotropy and reaction kinetics of geopolymer were investigated. The yield stress and plastic viscosity monotonically decreased with the increasing SS content. Contrarily, the geopolymer with 10% of SS presented better extrudability, buildability and mechanical strength than those with 0, 20%, 30% and 40% of SS. This was mainly attributed to the conflicting influence of SS on geopolymerization, of which the OH^? produced by hydration of SS raised the alkalinity of the reaction system and accelerated the dissolution of SiO₄^4? and AlO₄^5?, while the low reactivity prohibited the following polymerization process. Furthermore, the 3D-printed geopolymer presented more compact microstructure and less mechanical anisotropy thanks to the crosslinking of morphologically complementary products, including N(C)-A-S-H, C–S–H, AFt and CH, formed via synergistic reaction of FA-GBFS-SS-FGD system.     

A precise sensor fault detection technique using statistical techniques for wireless body area networks

One of the major challenges in wireless body area networks (WBANs) is sensor fault detection. This paper reports a method for the precise identification of faulty sensors, which should help users identify true medical conditions and reduce the rate of false alarms, thereby improving the quality of services offered by WBANs. The proposed sensor fault detection (SFD) algorithm is based on Pearson correlation coefficients and simple statistical methods. The proposed method identifies strongly correlated parameters using Pearson correlation coefficients, and the proposed SFD algorithm detects faulty sensors. We validated the proposed SFD algorithm using two datasets from the Multiparameter Intelligent Monitoring in Intensive Care database and compared the results to those of existing methods. The time complexity of the proposed algorithm was also compared to that of existing methods. The proposed algorithm achieved high detection rates and low false alarm rates with accuracies of 97.23% and 93.99% for Dataset 1 and Dataset 2, respectively.     

Finite element analysis of fracture behavior in ceramics: Competition between artificial notch and internal defects under three-point bending

Evaluation of the nonlinear relationship between the surface defect size and fracture strength of ceramics is important for engineering applications. In this study, we aim to predict the apparent nonlinear relationship between the defect size and fracture strength of single-edge notched beams (SENBs) using the finite element method. Specifically, we applied the methodology for predicting fracture strength from microstructure distribution data (relative density, pore size, aspect ratio, and grain size) to a finite element analysis (FEA) model in which the shape and size of the initial defects are defined at notch locations. By reproducing the apparent nonlinearity caused by the competition between the surface and internal defects within the framework of linear elastic fracture mechanics, the effectiveness of the FEA methodology for the evaluation of strength scatter and allowable crack size in ceramics was demonstrated.     

Omega-6支撑身体，Omega-3支撑大脑：均衡摄入对儿童大脑发育的影响（网络首发、推荐阅读）

人体大脑和身体的发育，需要从食物中摄取均衡的营养物质。人类大脑是区分人类和其他动物的特征。食物中的必需脂肪酸是机体组织结构和功能的必要组成部分。Omega-6（O6）亚油酸（LA6）是皮肤组织的组成成分，且是炎症、血栓形成、免疫和其他信号分子的前体；Omega-3（O3）α-亚麻酸（ALA3），特别是其长链代谢产物——二十二碳六烯酸（DHA3），是大脑、视网膜和部分神经组织中的关键组分。从富含LA6脂肪酸（缺乏O3脂肪酸）的植物籽中提取出的廉价而优质油脂，是20世纪的西方国家食品工业生产的主要脂肪来源。在代谢通路中，高浓度的LA6脂肪酸可拮抗O3脂肪酸代谢，造成O3脂肪酸不足，因此，在给怀孕动物的饲料中，只提供富含LA6但缺乏O3脂肪酸的油脂作为唯一的脂肪来源，会导致幼崽大脑发育不良。过去20~30年的研究表明，低含量LA6且含DHA3的油脂可改善大脑的功能。近年来的研究较多集中在营养因素对大脑发育的影响，最新研究数据表明，脂肪酸平衡对营养不良儿童的大脑发育尤为重要。世界卫生组织（WHO）越来越重视大脑的营养健康，通过其下属的食品法典委员会，建议用于治疗严重急性营养不良儿童的即食治疗食品中，使用含有均衡脂肪酸组成/构成的脂肪。同样，脂肪酸均衡对老年人可能也很重要。目前，业界已经有了调整油脂成分的方法，以确保脂肪酸均衡，从而维持人体整个生命周期的大脑健康。     

Damage evolution in polymer due to exposure to high-pressure hydrogen gas

The use of hydrogen as a fuel is increasing exponentially, and the most economical way to store and transport hydrogen for fuel use is as a high-pressure gas. Polymers are widely used for hydrogen distribution and storage systems because they are chemically inert towards hydrogen. However, when exposed to high-pressure hydrogen, some hydrogen diffuses through polymers and occupies the preexisting cavities inside the material. Upon depressurization, the hydrogen trapped inside polymer cavities can cause blistering or cracking by expanding these cavities. A continuum mechanics–based deformation model was deployed to predict the stress distribution and damage propagation while the polymer undergoes depressurization after high-pressure hydrogen exposure. The effects of cavity size, cavity location, and pressure inside the cavity on damage initiation and evolution inside the polymer were studied. The stress and damage evolution in the presence of multiple cavities was also studied, because interaction among cavities alters the damage and stress field. It was found that all these factors significantly change the stress state in the polymer, resulting in different paths for damage propagation. The effect of adding carbon black filler particles and plasticizer on the damage was also studied. It was found that damage tolerance of the polymer increases drastically with the addition of carbon black fillers, but decreases with the addition of the plasticizer.