Forced translocation of polymer chains through a nanotube: A case of ultrafiltration

Translocation of polymer chains under the application of an external force has been studied through coarse-grained Monte Carlo simulations. The chains are pulled through a nanotube of finite length and diameter and their translocation times measured. The average translocation time, tau follows a scaling relation involving the chain length, N and applied force, F as, tau similar to N-nu' F-mu, where nu' and mu are two different exponents (nu' = 0.674, and mu = 0.95 +/- 0.05). The scaling law is closely similar to the nanopore translocation scaling law reported by Milchev et al. [Ann NY Acad Sci 2009;1161:95]. Characteristic signatures of the chain escape time have been exhibited by the square of end-to-end distance R-2, axial radius of gyration Rg-x and other constituent properties. The behavior of the linear polymers under the application of a pulling force has been exploited to gain insights into the ultrafiltration process of unentangled polymers in dilute solution. The generic pulling force translocation time (F, tau) data obtained through simulation can be matched reasonably well with the hydrodynamic force critical macroscopic flow time (f(h), Q(c)(-1)) data and also with the hydrodynamic force reduced critical microscopic flow time (f(h), q(c)(-1)) data obtained in the ultrafiltration experiment on long linear polystyrene chains in cyclohexane, as recently reported by Ge et al. [Macromolecules 2009;42:4400] The simulation technique reported here may be extended to study biomolecular transports occurring in long protein channels, as studied experimentally through current time or voltage time traces. (C) 2010 Elsevier Ltd. All rights reserved.