Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 44, 2013
Previous Article Next Article

Semi-flexible polymer chains in quasi-one-dimensional confinement: a Monte Carlo study on the square lattice

Author affiliations

Abstract

Single semi-flexible polymer chains are modeled as self-avoiding walks (SAWs) on the square lattice with every 90° kink requiring an energy εb. While for εb = 0 this is the ordinary SAW, varying the parameter qb = exp(−εb/kBT) allows the variation of the effective persistence length lp over about two decades. Using the pruned-enriched Rosenbluth method (PERM), chain lengths up to about N = 105 steps can be studied. In previous work it has already been shown that for contour lengths L = Nlb (the bond length lb is the lattice spacing) of order lp a smooth crossover from rods to two-dimensional self-avoiding walks occurs, with radii Rlp1/4L3/4, the Gaussian regime predicted by the Kratky–Porod model for worm-like chains being completely absent. In the present study, confinement of such chains in strips of width D is considered, varying D from 4 to 320 lattice spacings. It is shown that for narrow strips (D < lp) the effective persistence length of the chains (in the direction parallel to the confining boundaries) scales like lp2/D, and RL (with a pre-factor of order unity). For very wide strips, Dlp, the two-dimensional SAW behavior prevails for chain lengths up to Lcrosslp(D/lp)4/3, while for LLcross the chain is a string of blobs of diameter D, i.e. RL(lp/D)1/3. In the regime D < lp, the chain is a sequence of straight sequences with length of the order lp2/D parallel to the boundary, separated by sequences with length < D perpendicular to the boundary; thus Odijk's deflection length plays no role for discrete bond angles.

Graphical abstract: Semi-flexible polymer chains in quasi-one-dimensional confinement: a Monte Carlo study on the square lattice

Back to tab navigation

Article information


Submitted
30 Apr 2013
Accepted
26 Jun 2013
First published
26 Jun 2013

Soft Matter, 2013,9, 10512-10521
Article type
Paper

Semi-flexible polymer chains in quasi-one-dimensional confinement: a Monte Carlo study on the square lattice

H. Hsu and K. Binder, Soft Matter, 2013, 9, 10512
DOI: 10.1039/C3SM51202A

Social activity

Search articles by author

Spotlight

Advertisements