Paper Info
Title
Monte Carlo simulations of a single polystyrene chain in spherical confinement
Abstract
We report on Monte Carlo simulations of a single coarse-grained polystyrene chain in spherical confinement. To this end we employ a variant of the freely rotating chain model, the parameters of which are chosen to mimic polystyrene in good solvent conditions. Entanglements are analyzed as a function of molecular weight and capsid radius to provide an educated guess about the structure of a single polystyrene chain in a miniemulsion droplet. We also show that significant knotting occurs first when the radius of the confining sphere falls below the chainʼs radius of gyration.
Year
DOI
Venue
2011
10.1016/j.cpc.2010.12.002
Computer Physics Communications
Keywords
DocType
Volume
Knots,Confinement,Off-lattice Monte Carlo simulations,Polystyrene,Miniemulsion
Journal
182
Issue
ISSN
Citations 
9
0010-4655
0
PageRank 
References 
Authors
0.34
5
2
Name
Order
Citations
PageRank
Daniel Reith131.48
Peter Virnau218019.44