Monte Carlo Simulation Study of flexible Polymer Translocation Through Nano-channel

Abstract

Using Monte Carlo simulation, we have examined the static and dynamic properties of linear polymers with varying chain stiffness that have been translocated through channels. In a two dimensional (square) lattice, we investigated the translocation process of a linear polymer chain of length N using the bond fluctuation technique (BFM) in conjunction with the metropolis algorithm. We positioned the middle monomers in the middle of the channels to get beyond the entropic barrier. We discovered that, for short channel lengths (L =3 and 6 units), the scaling relation of the flexible chain polymer's mean square end-to-end distance and mean square radius of gyration as a function of chain length N agrees well with the Flory exponent. Our simulation also showed that chain stiffness increases the mean square radius of gyration, mean square end-to end distance, and their ratio. Furthermore, the results of our investigation demonstrated that while chain stiffness has no effect on the scaling behavior of escape time, channel length and width do. Additionally, the average escape time shows inverse connections with channel width and direct associations with both chain stiffness and channel length.