硫化丁苯橡胶纳观界面耐磨机理及参数影响分析

硫化橡胶因其良好的力学和物理化学性能而被广泛作为摩擦副的基础材料. 本文提出了一种硫化交联算法, 实现了C—C键的硫化互交联和自交联, 构建了硫化丁苯橡胶的分子动力学磨损模型, 从微观摩擦学的角度阐明了硫化交联结构对改善丁苯橡胶磨损性能的机理, 研究了不同界面参数对硫化橡胶微观磨损性能的影响. 结果发现 硫化使丁苯橡胶分子链的界面黏附能力和活动能力更弱, 拉伸和解缠能力更低, 磨损过程中界面累积能量更低, 更不容易脱离橡胶基体, 因此可以表现出更好的摩擦学性能, 更强的抗磨损性能; 随着速度的增大, 硫化橡胶的磨损率降低, 与宏观实验结果一致, 原因是硫化橡胶的原子分布函数和相互作用能随着速度增大而降低, 说明橡胶分子链的黏附能力和活动能力随着速度增加趋弱, 温升更低, 导致较低的磨损率; 压入深度对磨损率的影响规律则呈现相反的结果和趋势.     

4D Printing based piezoelectric composite for medical applications

Additive manufacturing (AM), otherwise known as three‐dimensional (3D) printing, is driving major innovations in many areas, such as engineering, manufacturing, art, education, and medicine. Although a considerable amount of progress has been made in this field, additional research work is required to overcome various remaining challenges. Recently, one of the actively researched areas lies in the AM of smart materials and structures. Electroactive materials incorporated in 3D printing have given birth to 4D printing, where 3D printed structures can perform as actuating and/or sensing systems, making it possible to deliver electrical signals under external mechanical stimuli and vice versa. In this paper, we present a lightweight, low cost piezoelectric material based on the dispersion of inorganic ferroelectric submicron particles in a polymer matrix. We report on how the proposed material is compatible with the AM process. Finally, we discuss its potential applications for healthcare, especially in smart implants prostheses. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019 , 57, 109–115     

A facile synthesis of non-aqueous LiPO2F2 solution as the electrolyte additive for high performance lithium ion batteries

Constructing a reliable and favorable electrode-electrolyte interface is crucial to utilize the exceptional energy storage capability in commercial lithium-ion batteries. Here, we report a facile synthesis approach for the lithium difluorophosphate (LiPO₂F₂) solution as an effective film-forming additive via direct adding the Li₂CO₃ into LiPF₆ solution at 45 °C. Benefiting from the significantly reduced interface resistance (R_SEI) and charge transfer impedance (R_ct) of both the cathode and anode by adding the prepared LiPO₂F₂ solution into a baseline electrolyte, the cycling performance of the graphite||LiNi_0.5Mn_0.3Co_0.2O₂ pouch cell is remarkably improved under all-climate condition.     

Effect of matrices and additives on phosphorylated and ketodeoxyoctonic acid lipids A analysis by matrix‐assisted laser desorption ionization‐mass spectrometry

Lipid A is a major compound of the outer membrane of gram‐negative bacteria and is a key factor of bacterial virulence. As lipid A's structure differs among bacterial species and varies between strains of the same species, knowing its modifications is essential to understand its implications in the infectious process. To analyze these lipids, matrix‐assisted laser desorption ionization‐mass spectrometry (MALDI‐MS) is a well‐suited method that is fast and efficient. However, there are limitations with the matrix and additives used, such as the suppression of signal or prompt fragmentations that could give a false overview of lipid A composition in biological samples. For a comprehensive analysis of the entire lipid A species present in a sample, we tested 16 matrices and 11 additives on two commercial lipids A. The first commercial one contains single phosphorylation group, and the second contains two phosphorylation and two ketodeoxyoctonic acid (KDO) groups. The lipid A containing KDO groups was essentially detected by the 3‐hydroxypicolinic acid (3‐HPA) matrix, whereas the monophosphorylated lipid A could be detected by 13 matrices out of the 16. We also demonstrated that the signal of diphosphorylated lipid A can be enhanced with the use of additives in the matrix. Our study indicated that the best conditions to obtain a clear signal of both lipids A without prompt fragmentation was the use of 3‐HPA with 10mM trifluoroacetic acid (TFA).     

Recent advances of organometallic complexes in emerging photovoltaics

Organometallic complexes (OMCs) consisting of organic and metal active moieties have shown immense potential for application in solar cells. The diverse structure, rich porosity, and unique charge centers of OMCs enable them to be functional in solar cells. In this review, we introduced four types of OMCs, such as crown organometallic complexes, β-diketone metal complexes, cyclometallic complexes, and main chain metal-containing polymers, providing an in-depth analysis of the structure-performance relationship. OMCs could serve as active or interlayer materials in a variety of solar cell systems such as organic solar cells, perovskite solar cells, and dye-sensitized solar cells, especially some metals to improve the photoelectric performance of the device as dopants. In the end, perspectives on the opportunities and challenges of OMCs are given.     

Influence of oxygen on soot formation during acetylene pyrolysis

Kinetic modeling of pyrolysis of acetylene diluted with argon showed a strong influence of small additives of oxygen on the routes of formation of soot nuclei. The influence of oxygen on various channels of formation and consumption of propargyl radicals C₃H₃, which are important precursors of soot formation, as well as the fundamental possibility of controlling the process of soot formation and its properties are considered.     

The Story Behind the Link between Molecular Chirality and Crystal Shape

Here we describe the story behind the link between molecular chirality and macroscopic phenomena, the latter being a probe for the direct assignment of absolute configuration of chiral molecules. First, a brief tour of the history of molecular stereochemistry, starting with the classic experiment reported by Pasteur in 1848 on the separation of enantiomorphous crystals of a salt of tartaric acid, and his conclusion that the molecules of life are chiral of single-handedness. With time, this study raised, inter alia, two fundamental questions: the absolute configuration of chiral molecules and how a molecule of given configuration shapes the enantiomorphous morphology of its crystal. As for the first question, following the beginning of crystal structure determination by X-ray diffraction in 1912, it took almost 40 years before Bijvoet assigned molecular chirality through the esoteric method involving anomalous X-ray scattering. We have been able to address and link both questions through ‘everyday concepts of left and right’ (in the words of Jack Dunitz) by the use of ‘tailor-made’ auxiliaries. By such means, it proved possible to reveal, through morphology, etch patterns, epitaxy and symmetry reduction of both chiral and, paradoxically, centrosymmetric crystals, the basic chiral symmetry of the molecules of life, the α-amino acids and sugars.     

Mechanistic Insights into the Post‐Cyclization Isomerization in Gold‐Catalyzed 7‐exo‐dig‐Hydroarylations

The subsequent double‐bond isomerization in the synthesis of dibenzocycloheptenes and their heteroaromatic analogues was investigated. In the case of biphenyls, a basic additive completely prevented an isomerization to the thermodynamic product. With electron‐rich intramolecular heteroaromatic nucleophiles, the isomerization was still observed, but the kinetic product can be obtained by careful control of the reaction times in most cases. Mechanistic studies demonstrated that a slow isomerization is also possible with the gold catalyst at elevated temperatures, but much faster isomerization rates were observed with acidic additives. An observed initiation period for the gold‐catalyzed isomerization indicates that not the homogenous catalyst, but a decomposition product of it may be the catalytically active species.     

不同的灰熔点调控方式对煤灰熔融特性的影响

对两种原始煤灰进行混合,并分别搭配不同的添加剂,得到3种元素组成相同的煤灰,灰熔点测试结果显示,三者的灰熔点存在较大差异。结合X射线衍射技术和SEM-EDX(扫描电子显微镜与能谱联用)分析了3种煤灰(>800 ℃)在高温时的矿物质转化过程。结果表明,不同的灰熔点调控手段对不同煤的影响是不同的。原因是高温时矿物质组成不仅与煤灰化学元素组成相关,更与元素在矿物质中的赋存状态有关。两者共同决定了煤灰的熔融特性。     

Crystal Engineering of Supramolecular 1,4-Benzene Bisamides by Side-Chain Modification – Towards Tuneable Anisotropic Morphologies and Surfaces

Benzene bisamides are promising building blocks for supramolecular nano-objects. Their functionality depends on morphology and surface properties. However, a direct link between surface properties and molecular structure itself is missing for this material class. Here, we investigate this interplay for two series of 1,4-benzene bisamides with symmetric and asymmetric peripheral substitution. We elucidated the crystal structures, determined the nano-object morphologies and derived the wetting behaviour of the preferentially exposed surfaces. The crystal structures were solved by combining single-crystal and powder X-ray diffraction, solid-state NMR spectroscopy and computational modelling. Bulky side groups, here t-butyl groups, serve as a structure-directing motif into a packing pattern, which favours the formation of thin platelets. The use of slim peripheral groups on both sides, in our case linear perfluorinated, alkyl chains, self-assemble the benzene bisamides into a second packing pattern which leads to ribbon-like nano-objects. For both packing types, the preferentially exposed surfaces consist of the ends of the peripheral groups. Asymmetric substitution with bulky and slim groups leads to an ordered alternating arrangement of the groups exposed to the surface. This allows the hydrophobicity of the surfaces to be gradually altered. We thus identified two leitmotifs for molecular packings of benzene bisamides providing the missing link between the molecular structure, the anisotropic morphologies and adjustable surface properties of the supramolecular nano-objects.