Heterofullerene C48B12-impregnated MOF-5 and IRMOF-10 for hydrogen storage: A combined DFT and GCMC simulations study

The H₂ storage properties of isoreticular metal-organic framework materials (IRMOFs), MOF-5 and IRMOF-10, impregnated with different numbers and types of heterogeneous C₄₈B₁₂ molecules were investigated using density functional theory and grand canonical Monte Carlo (GCMC) calculations. The excess hydrogen adsorption isotherms of IRMOFs at 77 K within 20 bar indicate that suitable number and type of C₄₈B₁₂ molecules play a crucial role in improving the H₂ storage properties of IRMOFs. Among the studied pure and nC₄₈B₁₂ (n = 1, 2, 4, 8) in Ci symmetry impregnating into MOF-5, at 77 K under 6 bar, MOF-5-4C₄₈B₁₂ with a 3.5 wt% and 29.9 g/L hydrogen storage density, and at 77 K under 12 bar, the pure MOF-5 with a 4.9 wt% and 31.0 g/L hydrogen storage density has the best hydrogen storage properties. Whereas, among the studied pure and nC₄₈B₁₂ (n = 1, 2, 4, 8) in S6 symmetry impregnating into IRMOF-10, IRMOF-10-8C₄₈B₁₂ always shows the best hydrogen storage properties among the pure and C₄₈B₁₂-impregnated IRMOF-10 at 77 K within 20 bar. IRMOF-10-8C₄₈B₁₂ has a 6.0 wt% and 34.6 g/L hydrogen storage density at 77 K under 6 bar, and has a 7.1 wt% and 41.4 g/L hydrogen storage density at 77 K under 12 bar. The confinement effect of IRMOFs on C₄₈B₁₂ molecules, and steric hindrance effect of C₄₈B₁₂ molecules on IRMOFs mainly affects the H₂ uptake capacity by comparing the absolute H₂ molecules in individual IRMOFs units, C₄₈B₁₂ molecules, and IRMOFs-nC₄₈B₁₂ compounds. The absolute hydrogen adsorption profiles show that eight C₄₈B₁₂ molecules impregnating into MOF-5 can exert obvious steric effects for H₂ adsorption. The saturated gravimetric and volumetric H₂ densities of IRMOF-10-8C₄₈B₁₂ higher than those of MOF-5-8C₄₈B₁₂ due to with larger free volume.     

基于MF-DCCA 的呼吸道疾病与大气污染物相关性分析

针对呼吸道系统疾病与大气 PM2:5、 SO2 浓度序列的相关性特征, 应用多重分形消除趋势波动分析法 (MF-DCCA), 对张家界市永定区呼吸道系统疾病患病人数与大气 PM2:5、 SO2 浓度序列进行了研究。结果发现该地区 呼吸道系统疾病患病人数与大气 PM2:5、 SO2 浓度的相关性具有长期持续特征和多重分形特征。随后对它们相关性 多重分形特征的动力来源进行了分析, 通过随机重排和相位随机处理, 结果表明在不同时间尺度上的长期持续性影响 是其主要动力来源。进一步研究发现该地区呼吸道系统疾病与大气 PM2:5、 SO2 浓度序列的相关性在四个季节均具 有长期持续性的多重分形特征, 且夏季多重分形特征相对强于其他季节。     

Braking behaviours of C/C–SiC mated with iron/copper-based PM in dry,wet and salt fog conditions

C/C–SiC composites have enormous potential as a new generation of brake materials. It is worth studying the friction and wear behaviours of these materials in special environments to ensure the safe and effective braking of trains in practical applications. In this study, the braking behaviours and wear mechanisms of C/C–SiC mating with iron/copper-based PM in dry, wet and salt fog conditions are compared in detail. The results show that the coefficient of friction (COF) in the wet condition is reduced by 14.13% compared with that under the dry condition. The COF value of the first braking under salt fog condition is increased by 12.27% and 30.75% compared to the dry and wet conditions, respectively. Additionally, the tail warping phenomenon of the braking curve disappears in wet condition, which is attributed to the weak adhesion of friction interfaces and the lubrication of the water film. The main wear mechanisms of C/C–SiC mating with iron/copper-based PM under dry condition are adhesive, fatigue and oxidation wear. However, the dominant wear in wet condition is abrasive wear. The cooling and lubrication of water reduce the tendency of thermal stress, and weaken adhesive and fatigue wear. Furthermore, salt fog can accelerate the corrosion of alloy friction film, leading to the damage of friction film. Meanwhile, the third body particles formed in salt fog condition participate in the braking process. The wear mechanisms in salt fog condition are dominated by abrasive and delamination wear.     

Coenzyme Q10: Novel Formulations and Medical Trends

The aim of this review is to shed light over the most recent advances in Coenzyme Q₁₀ (CoQ₁₀) applications as well as to provide detailed information about the functions of this versatile molecule, which have proven to be of great interest in the medical field. Traditionally, CoQ₁₀ clinical use was based on its antioxidant properties; however, a wide range of highly interesting alternative functions have recently been discovered. In this line, CoQ₁₀ has shown pain-alleviating properties in fibromyalgia patients, a membrane-stabilizing function, immune system enhancing ability, or a fundamental role for insulin sensitivity, apart from potentially beneficial properties for familial hypercholesterolemia patients. In brief, it shows a remarkable amount of functions in addition to those yet to be discovered. Despite its multiple therapeutic applications, CoQ₁₀ is not commonly prescribed as a drug because of its low oral bioavailability, which compromises its efficacy. Hence, several formulations have been developed to face such inconvenience. These were initially designed as lipid nanoparticles for CoQ₁₀ encapsulation and distribution through biological membranes and eventually evolved towards chemical modifications of the molecule to decrease its hydrophobicity. Some of the most promising formulations will also be discussed in this review.     

异螺距万分尺设计

介绍了一种螺旋万分尺的结构设计。该万分尺的微分筒采用双螺纹,两螺纹的螺旋方向相同,螺距不同。采用V型槽和V型块精确定位来增加量程。测量最小刻度可达0.001 mm,读数精度达0.0001 mm。万分尺采用纯机械结构,结构原理简单,制造安装方便。     

基于OTN技术的大颗粒业务大连接承载模式研究

近年，各类专线业务的“大带宽、低时延、快响应”诉求愈加明显，对传送网的承载能力提出更高的要求，特别是其中N*10G 业务需求规模逐年增加， 有必要研究一套标准化的承载模式来满足业务接入的需求，以实现对业务连接的网络承载模式标准化、快速化、智能化。     

Effect of low-pressure carburizing and plasma nitriding on mechanical properties and fatigue endurance limits of low alloy sintered steels

ABSTRACT

Thermochemical treatments like plasma nitriding or surface carburizing are commonly used to enhance surface hardness of steel components. An important difference between these treatments is the temperature at which they are carried out. In the present paper, the surface carburizing was carried out following a recently reported non-isothermal low pressure carburizing (LPC) treatment. In order to gain a comparative view of the effect of different treatments on the microstructure, microhardness, fatigue and impact properties, materials with distinct hardenability and widely used in the industrial production were evaluated. Tests were also carried out using industrially processed components aimed to an application demanding high wear resistance. The microstructural evolution during case hardening was studied by optical and electron microscopy.     

DOPO‐Based Phosphorus‐Containing Methacrylic (Co)Polymers: Glass Transition Temperature Investigation

A two‐step synthetic procedure is designed for preparing new flame‐retardant methacrylic monomers containing 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO) as a substituent side group. DOPO and methacrylate moieties are linked by linear aliphatic hydrocarbon spacers (3 to 11 carbon atoms). Copolymerization with methyl methacrylate is carried out leading to copolymers containing between 2 and 10 wt% phosphorus. All homo‐ and copolymers exhibit a unique glass transition temperature (T_g ). A new group contribution for DOPO‐based substituent is extracted that leads to reasonable estimations of T_g s of other published polymers. The Fox equation provides a good estimation of T_g s for most copolymers and for physical blends of poly(methyl methacrylate) (PMMA) and DOPO. When using monomers having three and four carbon atoms in the hydrocarbon spacer, the T_g of copolymers remains close to that of PMMA over a wide range of composition.