Molecular dynamics simulations on fullerene surfactants with different charges at the air-water interface

被引：4
|
作者：
Li, Yunzhi [1 ]
Wei, Yaoyao [1 ]
Leng, Xia [1 ]
Liu, Guokui [1 ]
Xia, Qiying [1 ]
Wang, Honglei [2 ]
机构：
[1] Linyi Univ, Sch Chem & Chem Engn, Linyi 276000, Shandong, Peoples R China
[2] Beijing Kein Res Ctr Nat Sci, Beijing 100022, Peoples R China
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2020年 / 22卷 / 28期
关键词：
DERIVATIVES; AMPHIPHILES; MICELLES; VESICLES; C-60;
D O I：
10.1039/d0cp01979h
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The interfacial activity of fullerene surfactants at the air-water interface is studiedviamolecular dynamics and metadynamics simulations. Fullerene surfactants with different charges show different surface activity. Meanwhile, studies show that fullerene surfactants with zero or one positive charge show interesting interface behaviour,i.e.the hydrophobic fullerene of the fullerene surfactant with zero charge orients to bulk water while the fullerene surfactant with one positive charge can be a hydrophilic and hydrophobic rotator at the air-water interface.
引用
收藏
页码：16353 / 16358
页数：6
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