Acta Phys. -Chim. Sin. ›› 2004, Vol. 20 ›› Issue (06): 602-607.doi: 10.3866/PKU.WHXB20040610

• ARTICLE • Previous Articles     Next Articles

Mesoscale Simulation for Succinimide Dispersant Systems

Wei Ke-Cheng;Lu Dong-Yun;Zhou Han;Xu Wei;Wen Hao;Xu Zhi-Hong   

  1. Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100080;Sinopec Research Institute of Petroleum Processing, Beijing 100083
  • Received:2003-11-12 Revised:2004-02-24 Published:2004-06-15
  • Contact: Lu Dong-Yun E-mail:rainmoon@home.ipe.ac.cn

Abstract: 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, and 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 was used for lubricant-soot-dispersant systems. The simulated results are 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.

Key words: Dissipative particle dynamics, Mesoscale simulation, Lubricant, Dispersant