The properties of asphaltene at the oil-water interface: A molecular dynamics simulation

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• 作者：Guochun Lv^a ; Fengfeng Gao^b ; Guokui Liu^a ; Shiling Yuan^a ; ^{shilingyuan@sdu.edu.cn}
• 关键词：Molecular dynamics simulation ; Asphaltene ; Hydrogen bond networks ; Umbrella sampling ; Aggregation
• 刊名：Colloids and Surfaces A: Physicochemical and Engineering Aspects
• 出版年：2017
• 出版时间：20 February 2017
• 年：2017
• 卷：515
• 期：Complete
• 页码：34-40
• 全文大小：4906 K
• 卷排序：515

文摘

The properties of asphaltene at crude oil-water interface were investigated using MD simulation. Two angles were used to codetermine the orientation of asphaltene at crude oil–water interface. Hydrogen bond is a signification factor for the stability of asphaltene at oil–water interface. The aggregation state is most stable for asphaltene molecules at oil–water interface.