Escape of polymer chains from an attractive channel under electrical force

J Chem Phys. 2011 Feb 14;134(6):064905. doi: 10.1063/1.3553261.

Abstract

The escape of polymer chains from an attractive channel under external electrical field is studied using dynamical Monte Carlo method. Though the escaping process is nonequilibrium in nature, results show that the one-dimensional diffusion theoretical model based on the equilibrium assumption can describe the dependence of the average escaping time (τ(0)) on the polymer-channel interaction (ɛ), the electrical field (E), the chain length (n), and the channel length (L), qualitatively. Results indicate that both ɛ and E play very important roles in the escaping dynamics. For small ɛ, the polymer chain moves out of the channel continuously and quickly. While for large ɛ, the polymer chain is difficult to move out of long channels as it is trapped for a long time (τ(trap)) when the end segment is near the critical point x(C). These results are consistent with the theoretical results for the free energy profiles at small ɛ and large ɛ, respectively. The dependence of x(C) and τ(trap) on ɛ and E are discussed, and specific relations are obtained. The configurational properties of polymer chain are also investigated during the escaping process.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Electromagnetic Fields
  • Monte Carlo Method
  • Polymers / chemistry*
  • Thermodynamics

Substances

  • Polymers