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简要概述了分子模拟方法在润滑油基础油和添加剂研究中的应用,主要为化合物的作用机理及分子结构对性能的影响。对分子模拟在极压抗磨剂作用过程中的研究进展进行了总结,分析了分子与金属表面作用前的分解机理,极压抗磨剂与金属表面反应过程中的化学作用位点及诱导因素,探讨了生成反应膜发挥抗磨作用的结构内因,极压抗磨剂的结构与性能关系以及通过结构参数和吸附能预测抗磨性能的要点。
The application of molecular simulation methods in the research of lubricant base oils and additives is briefly summarized. The mechanism of action of the compounds and the influence of the molecular structure on the properties are summarized. The progress of molecular simulation in the action of extreme pressure antiwear agent was summarized. The decomposition mechanism before molecular interaction with metal surface was analyzed. The chemical reaction sites and induction factors of extreme pressure antiwear agent and metal surface reaction The relationship between the structure and properties of the internal and external pressure-resistant anti-wear agents and the anti-wear properties of the structure were also discussed.