Polymer chains in a soft nanotube: a Monte Carlo study.
We study the equilibrium properties of flexible polymer chains confined in a soft tube by means of extensive Monte Carlo simulations. The tube wall is that of a single sheet six-coordinated self-avoiding tethered membrane. Our study assumes that there is no adsorption of the chain on the wall. By varying the length N of the polymer and the tube diameter D we examine the variation of the polymer gyration radius Rg and diffusion coefficient Ddiff in soft and rigid tubes of identical diameter and compare them to scaling theory predictions. We find that the swollen region of the soft tube surrounding the chain exhibits a cigarlike cylindrical shape for sufficiently narrow tubes with D<<Rg. The observed scaling of static conformational properties with chain length N and tube diameter D follows the predictions of scaling theory and displays no significant difference between soft and rigid tubes. The Brownian dynamics of the polymer diffusion in a rigid tube is found to slow down in a tube with soft walls by an amount which depends on the Rg/D ratio albeit the relaxation time tau(parallel) for diffusive motion along the tube still scales as tau(parallel) proportional, N3.
Avramova
K
K
Institute for Physical Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria.
Milchev
A
A