中国石油大学学报（自然科学版）2024，Vol.48Issue(3)：215-220,6.DOI:10.3969/j.issn.1673-5005.2024.03.024
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
摘要
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分类
能源科技引用本文复制引用
燕友果,郝羽键,伊卓,李雅婧,张军,李振..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[J].中国石油大学学报（自然科学版）,2024,48(3):215-220,6.基金项目
国家自然科学基金联合基金项目(U21B2070) （U21B2070）
国家自然科学基金面上项目(52274054) （52274054）
中国石油化工股份有限公司重点课题(421089-8) （421089-8）
