MOLECULAR-DYNAMICS MODEL OF ADSORBED LAYER AT A PLANE FLUID INTERFACE

被引：4

作者：

DICKINSON, E ^{[1
]}

PELAN, EG ^{[1
]}

机构：

[1] UNILEVER RES, BEDFORD MK44 1LQ, ENGLAND

来源：

MOLECULAR PHYSICS | 1991年 / 74卷 / 05期

关键词：

D O I：

10.1080/00268979100102841

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：

Adsorption of spherical particles at a planar fluid interface is modelled by means of a molecular dynamics simulation of a periodic system of 500 Lennard-Jones particles in the presence of an external Gaussian potential of narrow width and adjustable depth. Numerical results are presented as a function of temperature, density and well depth for the density profile perpendicular to the interface, the pair distribution function in the adsorbed monolayer, and the lifetimes and diffusion coefficients of particles in the monolayer. The appearance of secondary layers is noted at low temperature. The simulation provides a basis for modelling the statics and dynamics of competitive adsorption at fluid interfaces.

引用

页码：1115 / 1124

页数：10

共 20 条

[11] MONTE-CARLO MODEL OF COMPETITIVE ADSORPTION BETWEEN INTERACTING MACROMOLECULES AND SURFACTANTS [J].