非离子表面活性剂体系层状液晶中硫化锌纳米颗粒的抗磨性

利用层状液晶中溶剂厚度的限定性,在ＴｒｉｔｏｎＸ－１００／Ｃ１０Ｈ２１ＯＨ／Ｈ２Ｏ体系层状液晶中,分别各以０．１ｍｏｌ／Ｌ的Ｚｎ（ＣＨ３ＣＯＯ）２和Ｎａ２Ｓ水溶液代替组分水制备出粒径约为１０ｎｍＺｎＳ颗粒,并对层状液晶中ＺｎＳ纳米颗粒的抗磨性能进行了研究,结果表明,ＺｎＳ纳米颗粒能提高ＴｒｉｔｏｎＸ－１０Ｃ１０Ｈ２１ＯＨ／Ｈ２Ｏ体系层状液晶的抗磨性,但对极压性能无影响。     

有机二硫化物极压添加剂结构与润滑性能的理论研究

运用Gaussian98量子化学程序包,采用密度泛函理论(DFT)及从头算(ab initio)方法,在B3LYP/6-31G和HF/6-31G水平上对12种有机二硫化物的分子几何构型、电子结构、分子轨道指数及与铁原子簇的相互作用等进行了理论计算;由前线分子轨道理论分析了反应的活性原子和活性键,运用轨道能量近似原则讨论了有机二硫化物与铁原子的作用方式;以前线电子密度、超离域性指数和原子净电荷等参数作为表征有机二硫化物与金属作用强弱的判据,分析了有机二硫化物与铁原子间键合的强弱及反应性大小.结果表明:当有机二硫化物与铁接触时,趋向于发生S-S键和C-S键断裂;随碳链的增长,有机二硫化物的抗磨性能增强,极压性能减弱,与相应的摩擦磨损试验结果一致.所用的量子化学方法在润滑添加剂结构-性能研究领域具有良好的应用前景,可用以指导润滑添加剂的分子设计.     

润滑添加剂结构与性能的量子化学研究

用量子化学方法计算了 2种润滑添加剂和铁原子簇的分子轨道指数 ,运用轨道能量近似原则讨论了添加剂与铁原子簇的作用方式 ;以前线电子密度、超离域性指数和原子净电荷作为判据分析了 2种添加剂分子与铁原子簇间键合的强弱、反应性的大小等表征添加剂与金属作用强弱的参数 .研究表明 :3 - ( N,N-二丁基二硫代氨基甲酸基 )丙二酸与铁原子簇的相互作用强于 3 - ( N,N-二丁基二硫代氨基甲酸基 )丙酸与铁原子簇的相互作用 ;运用量子化学计算得到的预测结果与摩擦学试验结果具有良好的一致性     

碳纳米管-聚丙烯酸乙酯复合乳液的制备及其润滑性能研究

采用乳液聚合方法合成了碳纳米管一聚丙烯酸乙酯(CNTs—PEA)复合乳液;采用JEM100XI型透射电子显微镜(TEM)观察了复合乳液的微观形貌;采用MQ-800型四球摩擦磨损试验机和MM-200型环一块摩擦磨损试验机考察了CNTs—PEA复合乳液作为水基润滑添加剂的摩擦学性能;并采用JSM-35型扫描电子显微镜(SEM)分析了磨斑表面．结果表明,CNTs—PEA复合乳液在极低浓度下即可有效地提高水基液的承载能力和抗磨性能．     

Stability and Elastic Properties of the Stress-Free B2 (CsCl-type) Crystal for the Morse Pair Potential Model

Solid-to-solid martensitic phase transformations are responsible for the remarkable behavior of shape memory alloys. There is currently a need for shape memory alloys with improved corrosion, fatigue, and other properties. The development of new accurate models of martensitic phase transformations based on the material’s atomic composition and crystal structure would lead to the ability to computationally discover new improved shape memory alloys. This paper explores the Effective Interaction Potential method for modeling the material behavior of shape memory alloys. In particular, an extensive parameter study of the Morse pair potential model of the stress-free B2 cubic crystal is performed. Results for the stability, potential energy, current unit cell volume, instantaneous bulk modulus, and the two instantaneous cubic shear moduli are presented and discussed. It is found that an Effective Interaction Potential model based on the Morse potential is appropriate for modeling transformations between the B2 cubic structure and the B19 orthorhombic structure, but is not likely to be capable of simulating the B2 cubic to B19′ monoclinic transformation found in the popular shape memory alloy NiTi. In fact, this conclusion may be extended to all types of pair interaction potential models.