Molecular dynamics studies of aqueous surfactants systems

被引:39
作者
Tarek, M [1 ]
Bandyopadhyay, S [1 ]
Klein, ML [1 ]
机构
[1] Univ Penn, Dept Chem, Ctr Mol Modeling, Philadelphia, PA 19104 USA
关键词
D O I
10.1016/S0167-7322(98)00078-6
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
Recent progress in the characterization of aqueous surfactant systems using molecular dynamics simulations is reviewed, and insights into the structure and dynamical behavior of three systems are presented. In the first example we study the formation of an ethanol monolayer at the air/water interface. The second example is an investigation of the structure and the dynamics of nanoscale aqueous droplets, similar to those encountered in nucleation of binary systems from the gaseous phase. Finally, we report recent results on attempts to follow the self assembly of micellar aggregates from surfactant monomers in solutions. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:1 / 6
页数:6
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