改性聚丙烯酰胺降低油水界面张力行为的分子动力学模拟
Molecular dynamics simulation study on behavior of modified polyacrylamide reducing oil-water interfacial tension
燕友果 1郝羽键 1伊卓 2李雅婧 2张军 1李振1
作者信息
- 1. 中国石油大学(华东)材料科学与工程学院,山东青岛 266580
- 2. 中国石油化工股份有限公司北京化工研究院,北京 100013
- 折叠
摘要
采用分子动力学模拟方法,从原子分子层次考察部分水解聚丙烯酰胺(HPAM)以及改性HPAM的界面活性.结果表明:HPAM降低油水界面张力能力极其有限,而引入疏水基团后的HPAM具有较好的降低界面张力效果;改性HPAM的疏水基团增强与油相的作用,并在界面处形成致密的聚合物膜,增加油水界面层厚度,隔离油水相接触,从而降低油水接触形成的界面张力;盐离子的存在增加油水界面张力,改性HPAM引入的磺酸基团具有较好的抗盐能力,可以降低界面处盐离子的聚集,从而减弱盐离子对界面张力的影响.
Abstract
Molecular dynamics simulation method was used to investigate the interfacial activity of partially hydrolyzed poly-acrylamide(HPAM)and modified HPAM at the atomic and molecular level.The results show that the ability of HPAM to reduce the oil-water interfacial tension is extremely limited,while the HPAM with hydrophobic groups has a better effect on reducing the interfacial tension.The hydrophobic groups in the modified HPAM enhance the interaction with the oil phase,and form a dense polymer film at the interface,which can increase the thickness of the oil-water interface layer,isolate the oil-water phase contact,thereby reducing the interfacial tension formed by the oil-water contact.The presence of salt ions increases the oil-water interfacial tension.The sulfonic acid group introduced by modified HPAM has better salt resistance,which can reduce the aggregation of salt ions at the interface,thereby weakening the effect of salt ions on the interfacial tension.
关键词
改性聚丙烯酰胺/界面张力/分子动力学模拟Key words
modified polyacrylamide/interfacial tension/molecular dynamics simulation引用本文复制引用
基金项目
国家自然科学基金联合基金(U21B2070)
国家自然科学基金面上项目(52274054)
中国石油化工股份有限公司重点课题(421089-8)
出版年
2024
国家科技期刊平台
NSTL
万方数据