【摘要】 区分不同结构分散剂的分散性能有益于分散剂的分子设计。通常实验方法费用高昂、效率低下,而计算机模拟方法则是一种非常有效的辅助研究方法。本文以润滑油分散剂的分散性能为研究目标,选择合适的模型化合物,定义了分散性能的计算指标,并用分子模拟方法估算了模拟需要的参数,运用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。得到了与实验研究一致的模拟结果。更多还原

【Abstract】 Distinguishing the dispersancy of different dispersants helps their molecular design.Usually experiment method is an expen-sive way with low efficiency.Now computer simulation method is a very efficient,auxiliary way.This paper aimed at the dispersancy oflubricant dispersants.The suitable model materials were chosen;the calculated index of dispersancy was defined;the input parameterswere evaluated by molecular simulation;the mesoscale simulation method was used to study the impact factors such as dispersant struc-ture,concentration,interaction with lubricant on the dispersancy.The simulated results had consistent tendencies with experiments.更多还原