丁二酰亚胺类分散剂体系的介观模拟研究  

Mesoscale Simulation for Succinimide Dispersant Systems

作　　者：魏克成[1] 陆冬云[1] 周涵[2] 徐未[2] 温浩[1] 许志宏[1] 

机构地区：[1]中国科学院过程工程研究所,北京100080 [2]中国石油化工科学研究院,北京100083

出　　处：《物理化学学报》2004年第6期602-607,共6页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(20273075;20221603;20303022)资助项目~~

摘　　要：以润滑油添加剂丁二酰亚胺类分散剂的分散性能为研究目标,运用耗散粒子动力学介观模拟方法考察了分散剂结构、用量、与润滑油的相互作用等因素对分散性能的影响,并用分子模拟方法估算了模拟需要的介观参数.通过恰当地定义分散性能,选择合适的模型化合物,得到了与实验研究定性一致的模拟结果.为润滑油分散剂的分子设计提供有益的理论指导.This paper aimed at the dispersancy of lubricant succinimide dispersants. The molecular and mesoscale simulation methods were integrated to study the impact factors such as dispersant structure, concentration, interaction with lubricant on the dispersancy. The mesoscopic parameters of succinimide polar groups were evaluated by the BLEND method of Cerius2 software. The dissipative particle dynamics simulation were used for lubricant-soot-dispersant systems. The simulated results is gualitatively consistent with experiments by the comparison between macro-index and micro-index to each system's dispersing performance. The simulation results can give theoretical guidance to the molecular design for dispersants.

关 键 词：耗散粒子动力学 介观模拟 润滑油 分散剂 

分 类 号：TE624.8[石油与天然气工程—油气加工工程]