Properties of star-branched and linear chains in confined space. A Monte-Carlo study.
We have studied the properties of simple models of linear and star-branched polymer chains confined in a slit formed by two parallel impenetrable walls. The polymer chains consisted of identical united atoms (homopolymers) and were restricted to a simple cubic lattice. Two macromolecular architectures of the chain: linear and regular stars with three branches of equal length, were studied. The excluded volume was the only potential introduced into the model and thus the system was athermal. Monte-Carlo simulations with the sampling algorithm based on the chain's local changes of conformation were carried out for chains with different lengths as well as for different distances between the confining surfaces. We found that the properties of model chains differ for both macromolecular architectures but a universal behavior for both kinds of chains was also found. Investigation of the frequency of chain-wall contacts shows that the ends of the chains are much more mobile than the rest of the chain, especially in the vicinity of the branching point in star polymers. [Figure: see text]. The scheme of a star-branched (left) and a linear (right) chain located between two parallel impenetrable surfaces.
Romiszowski
Piotr
P
Department of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warszawa, Poland. prom@chem.uw.edu.pl
Sikorski
Andrzej
A
D000465:Algorithms; D008958:Models, Molecular; D015394:Molecular Structure; D009010:Monte Carlo Method; D011108:Polymers / Q000737:chemistry*
D011108:Polymers