分子动力学模拟研究矿物基础油润滑性能

发布时间：2018-03-15 21:08

本文选题：基础油　切入点：润滑性能　出处：《石油学报(石油加工)》2017年04期 　论文类型：期刊论文

【摘要】：采用分子动力学(MD)模拟方法,以十四烷基环己烷为模型化合物,主要从烃分子与Fe(110)表面的吸附能以及烃分子之间的作用能2个方面,研究了矿物基础油分子在Fe(110)表面的润滑作用,并比较了烃分子结构及温度对润滑作用的影响。结果表明,烃分子与Fe(110)表面的吸附能远大于烃分子之间的作用能,因而能形成稳定的润滑油膜,这2种作用能主要来源于范德华作用。稳定润滑状态下,烃分子水平分布的吸附能比竖直分布的大,更容易水平分布在Fe(110)表面。不同结构烃分子之间的作用能不同,其由大到小顺序为:芳香烃,环烷烃,直链烷烃,异构烷烃;不同结构烃分子与Fe(110)表面的吸附能也不相同,其由大到小顺序为:芳香烃,直链烷烃,环烷烃,异构烷烃;这2种作用能均随温度的升高而降低,使润滑油膜的稳定性下降。
[Abstract]:By using molecular dynamics (MD) simulation method, 14 alkyl cyclohexane was used as model compound. The adsorption energy and the interaction energy between hydrocarbon molecules and Fei 110) surface were studied. The lubricating effect of mineral base oil on the surface of Fei 110) was studied, and the effects of molecular structure and temperature on the lubrication were compared. The results show that the adsorption energy of hydrocarbon molecule and Fe 1 10) surface is much larger than the interaction energy between hydrocarbon molecule and hydrocarbon molecule. Therefore, stable lubricating oil film can be formed, and the two kinds of action energy mainly come from van der Waals action. Under stable lubrication condition, the adsorption energy of the horizontal distribution of hydrocarbon molecules is larger than that of vertical distribution. It is easier to distribute horizontally on the surface of Fe (110). The interaction energies of different structure hydrocarbon molecules vary from large to small in the order of aromatics, cycloalkanes, linear alkanes, iso-alkanes, and the adsorption energies of hydrocarbon molecules with different structures on the surface of Fe _ (110) are different, and the order is: aromatic hydrocarbons, cycloalkanes, linear alkanes and iso-alkanes. The order from large to small is aromatics, linear alkanes, cycloalkanes, iso-alkanes, and these two kinds of action energy decrease with the increase of temperature, and the stability of lubricating oil film decreases.
【作者单位】：中国石化石油化工科学研究院;
【基金】：中国石油化工股份有限公司技术开发项目(ST16019)资助
【分类号】：TE626.9

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