摘要
采用分子轨道指数研究润滑剂分子与金属表面间相互作用的能力 ,通过比较键合原子净电荷以及分子间相互作用的最高占据轨道能级 (EHOMO)和最低空轨道能级 (ELUMO)的大小发现 ,醇和羟基化金属表面的氢键力大于酯与羟基化金属表面的氢键力 .根据分子轨道能量近似原则和反应性指数大小判断 ,酯和裸露的金属原子之间的作用强于醇 ,醇和酯复配的润滑剂通过发挥各自的优势而强化润滑剂分子与金属表面之间的作用 ,从而表现出协同减摩效应 .
The molecular orbital indexes were used as criteria to assess the interaction between lubricant polar groups and metal surface. Comparing the net electric charge of bonded atoms, the highest occupied molecular orbital energy ( E HOMO ) and the lowest unoccupied molecular orbital energy ( E LUMO ) of interactive molecules, one could find that the hydrogen bond strength between oxide metal surface and alcohol was stronger than that between oxide metal surface and ester. On the other hand, the interaction between metal atoms and ester is stronger than that between metal atoms and alcohol. Thus the compound lubricant of alcohol and ester shows asynergistic friction reducing effect because each of the two has its own advantages in interaction with the lubricated metal surfaces.
出处
《摩擦学学报》
CSCD
北大核心
2000年第4期280-283,共4页
Tribology
基金
国家教委博士点基金资助项目! ( 955331 3)
关键词
润滑剂
分子轨道指数
分子间作用
极性基团
lubricant
molecular orbital index
molecular interaction
polar group
