摘要
多种脂肪酸及其酯类衍生物抗磨性能的评价数据显示,影响其抗磨性能的关键因素是抗磨剂分子极性基团的结构。采用分子模拟方法,研究摩擦过程中抗磨剂分子极性基团结构对其物理吸附能、化学吸附能、分子间相互作用能及其抗磨性能的影响。结果表明:同时增强抗磨剂分子在摩擦表面的吸附能力以及抗磨剂分子间结合能力,有利于增强润滑膜的吸附稳定性以及结构稳定性,进而有利于提升抗磨剂的抗磨性能;在抗磨剂分子极性基团附近引入—OH等体积较小的极性基团,可起到增强抗磨剂分子吸附能力以及分子间结合能力的作用。相关抗磨性能评价数据表明引入—OH使抗磨剂的抗磨性能显著提升,与理论研究结果一致。
The evaluation data of various fatty acids and their ester derivatives showed that the key factor affecting the anti-wear was the structure of polar groups of the molecules.By molecular simulation method,the effects of polar group structure of anti-wear agent molecule on its physical and chemical adsorption energy,molecular-interaction energy and the anti-wear performance was explored.The results showed that enhancing the adsorption on the friction surface and intermolecular binding energy of the anti-wear agent molecules is beneficial to strengthen the adsorption stability and structural stability of the lubrication film,which helps improving the anti-wear performance of the agents.Introducing small polar groups,such as-OH,near the polar group of anti-wear agent molecule can heighten the adsorption ability and molecular interaction of the anti-wear agent molecules.The anti-wear performance tests proved that after introducing-OH,the anti-wear performance of the agent is significantly increased,which is consistent with the theoretical research results.
作者
李妍
龙军
赵毅
蔺建民
黄燕民
周涵
Li Yan;Long Jun;Zhao Yi;Lin Jianmin;Huang Yanmin;Zhou Han(SINOPEC Research Institute of Petroleum Processing,Beijing 100083)
出处
《石油炼制与化工》
CAS
CSCD
北大核心
2019年第3期80-86,共7页
Petroleum Processing and Petrochemicals
基金
中国石油化工股份有限公司合同项目(S109032)
关键词
抗磨剂
极性基团
抗磨性能
吸附能
分子间相互作用能
anti-wear agent
polar group
anti-wear performance
adsorption energy
molecule-interaction energy
