Research on the Relationship between Molecular Activity of Additives and Lubricating Performance of

• 作 者: Xia Lei Sun Jianlin Zeng Yingfeng Zhang Min Duan Qinghua
• 机 构: School of Materials Science and Engineering,University of Science and Technology Beijing,Research In
• 出 处: China Petroleum Processing & Petrochemical Technology
• 发表日期: 2013年03期
• 关键词: aluminum rolling molecular properties lubricating performance DFT

In this paper,an ab initio,local density functional(LDF)method was used to explore the relationship between the molecular properties of additives and the lubricating performance of aluminum rolling oil.The structural properties of butyl stearate,dodecanol,docosanol,and methyl dodecanoate were studied according to the density functional theory.The calculated data showed that the atoms in or around the functional groups might be likely the reacting sites.Because of the different functional groups and structure of ester and alcohol,two types of complex additives,dodecanol and butyl stearate,methyl dodecanoate and butyl stearate,respectively,were chosen for studying their tribological properties and performing aluminum cold rolling experiments.The test results agreed with the calculated results very well.The complex ester,viz.methyl dodecanoate and butyl stearate,had the best lubricating performance with a friction coefficient of 0.084 1 and a permissive-rolling thickness of 0.040 mm as compared with that of dodecanol-butyl stearate-base oil formulation.

In this paper, an ab initio, local density functional (LDF) method was used to explore the relationship between the molecular properties of additives and the lubricating performance of aluminum rolling oil. The structural properties of butyl stearate, dodecanol, docosanol, and methyl dodecanoate were studied according to the density functional theory. The calculated data showed that the atoms in or around the functional groups might be likely the reaction sites. Still of the different functional groups and structure of ester and alcohol, two types of complex additives, dodecanol and butyl stearate, methyl dodecanoate and butyl stearate, respectively, were chosen for studying their tribological properties and performed aluminum cold rolling experiments. The test results agreed with the calculated results very well. complex ester, viz.methyl dodecanoate and butyl stearate, had the best lubricating performance with a friction coefficient of 0.084 1 and a permissive-rolling thickness of 0.040 mm as co mpared with that of dodecanol-butyl stearate-base oil formulation.