SIMULATION OF SURFACTANT SOLUTIONS .1. MICELLE FORMATION IN THE BULK PHASE

被引:52
作者
RECTOR, DR
VANSWOL, F
HENDERSON, JR
机构
[1] UNIV ILLINOIS,DEPT CHEM ENGN,URBANA,IL 61801
[2] UNIV LEEDS,SCH CHEM,LEEDS LS2 9JT,W YORKSHIRE,ENGLAND
关键词
D O I
10.1080/00268979400100724
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
In this article we present the results of computer simulations of a solvent-surfactant system. Using a simple surfactant model consisting of Lennard-Jones sites connected by non-harmonic springs, we can produce many features of real surfactant solutions, including the critical micelle concentration. Using NpT molecular dynamics and the Widom test particle method, solvent and surfactant chemical potentials and cluster size distributions are determined as a function of surfactant concentration. Results for both two- and three-dimensional systems are presented.
引用
收藏
页码:1009 / 1031
页数:23
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