分子模拟技术对润滑脂滴点的初步预测  

FORECASTING THE DRIPPING POINT OF LUBRICATING GREASE BY MOLECULAR SIMULATION

作　　者：孙洪伟[1] 赵毅[1] 龙军[1] 

机构地区：[1]中国石化石油化工科学研究院,北京100083

出　　处：《石油学报（石油加工）》2006年第3期54-60,共7页Acta Petrolei Sinica(Petroleum Processing Section)

基　　金：中国石油化工股份有限公司资助项目(S103038)

摘　　要：制备了不同类型的单皂和复皂润滑脂,测定了其理化性能。采用分子模拟技术对润滑脂滴点进行了初步预测,并计算了润滑脂中各种金属皂分子间氢键键长和分子体积模量。结果表明,复合钙皂和复合锂皂的分子体积模量分别大于钙皂和锂皂的分子体积模量。金属皂分子体积模量与其所形成的润滑脂的滴点呈对应关系,即分子体积模量大的,其形成的润滑脂滴点也高,反之则反。采用分子模拟技术可以从分子的层次指导润滑脂的研究。The single and complex soap lubricating greases were prepared, and their physico- chemical properties were measured. The dripping points of lubricating greases were forecasted by molecule simulation. The hydrogen bond length between the soap molecules and molecular bulk modulus of the soap in lubricating greases were also calculated. The results showed that the molecular bulk moduli of complex calcium and complex lithium soaps were more than that of calcium and lithium soaps. It was discovered that there existed a relationship between the molecular bulk modulus of soap and the dripping point of the grease formed by the soap as the thickener, that is, the lubricating grease thickened by the soap with higher molecular bulk modulus would have higher dripping point, and vise versa, which can be used to guide the research on the lubricating greases.

关 键 词：润滑脂 分子模拟 氢键 体积模量 

分 类 号：TE626.4[石油与天然气工程—油气加工工程] TQ019[化学工程]