title: Simulation study on the translocation of a partially charged polymer through a nanopore.
abstract: The translocation of a partially charged polymer through a neutral nanopore under external electrical field is studied by using dynamic Monte Carlo method on a simple cubic lattice. One monomer in the polymer is charged and it suffers a driving force when it locates inside the pore. Two time scales, mean first passage time τ(FP) with the first monomer restricted to never draw back into cis side and translocation time τ for polymer continuously threading through nanopore, are calculated. The first passage time τ(FP) decreases with the increase in the driving force f, and the dependence of τ(FP) on the position of charged monomer M is in agreement with the theoretical results using Fokker-Planck equation [A. Mohan, A. B. Kolomeisky, and M. Pasquali, J. Chem. Phys. 128, 125104 (2008)]. But the dependence of τ on M shows a different behavior: It increases with f for M < N/2 with N the polymer length. The novel behavior of τ is explained qualitatively from dynamics of polymer during the translocation process and from the free energy landscape.
authors: Department of Physics, Zhejiang University, Hangzhou 310027, China.
authors: Hong
authors: H
authors: Qian
authors: Li-Zhen
authors: LZ
authors: Sun
authors: Meng-Bo
authors: MB
authors: Luo
mesh_terms: D003198:Computer Simulation; D004560:Electricity; D008956:Models, Chemical; D009010:Monte Carlo Method; D009038:Motion; D058608:Nanopores / Q000648:ultrastructure; D011108:Polymers / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D011108:Polymers