Premium
Computer Simulations of Grafted Amphiphilic Polymer Chains
Author(s) -
Sikorski Andrzej,
Romiszowski Piotr
Publication year - 2004
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.200451323
Subject(s) - polymer , materials science , monte carlo method , polymer brush , excluded volume , simple cubic lattice , brush , chemical physics , lattice (music) , chain (unit) , polymer chemistry , composite material , nanotechnology , chemistry , physics , statistics , mathematics , astronomy , acoustics , polymerization
We designed a simple model of a polymer layer formed by many chains. Each chain was built on a flexible [310] lattice. All chains were terminally attached to an impenetrable surface and the lateral motion of the entire chain was enabled. The force field used consisted of the contact potential regarding attractive interaction as well as the excluded volume effect. between polymer segments with short‐range repulsion. It was assumed that the chains were built of hydrophilic and hydrophobic segments. The Monte Carlo simulations of this model were carried out using the Metropolis algorithm. The influence of both the grafting density and the temperature on static properties of the system were studied and discussed. The size, shape and structure of the polymer film formed near the surface were determined. The low temperature structures formed by the brush were described.