Internal structure of a model micelle via computer simulation

Abstract

The molecular dynamics method has been used in a preliminary computer simulation study of intramicellar structure. The simulation was performed on a simplified model of a spherical micelle composed of 40 13-member chains with head groups fixed on a spherical shell of 16 Å radius. Results are reported for the local density of CH2 and CH3 groups, for the distribution of gauche bonds, and for the average conformation of the chains. © 1984 American Chemical Society.