Polymers Confined between Two Parallel Plane Walls

TL;DR

This study uses Monte Carlo simulations to analyze the behavior of polymers confined between two parallel walls, examining different models and chain lengths to understand their scaling laws and force interactions.

Contribution

It provides a comprehensive simulation-based analysis of confined polymers, comparing different models and exploring finite size effects and universal properties.

Findings

Scaling laws match theoretical predictions

Universal amplitude ratios are confirmed

Force exerted on walls quantified

Abstract

Single three dimensional polymers confined to a slab, i.e. to the region between two parallel plane walls, are studied by Monte Carlo simulations. They are described by $N$-step walks on a simple cubic lattice confined to the region $1 \le z \le D$. The simulations cover both regions $D << R_F$ and $D >> R_F$ (where $R_F \sim N^\nu$ is the Flory radius, with $\nu \approx 0.587$), as well as the cross-over region in between. Chain lengths are up to $N=80,000$, slab widths up to D=120. In order to test the analysis program and to check for finite size corrections, we actually studied three different models: (a) Ordinary random walks (mimicking $\Theta$-polymers); (b) Self-avoiding walks (SAW); and (c) Domb-Joyce walks with the self-repulsion tuned to the point where finite size corrections for free (unrestricted) chains are minimal. For the simulations we employ the pruned-enriched-Rosenbluth method (PERM) with Markovian anticipation. In addition to the partition sum (which gives us a direct estimate of the forces exerted onto the walls), we measure the density profiles of monomers and of end points transverse to the slab, and the radial extent of the chain parallel to the walls. All scaling laws and some of the universal amplitude ratios are compared to theoretical predictions.