A molecular dynamics simulation study of sucking a single polymer chain into nanopores: blockage and memory effects

Abstract

AbstractThe transport of single polymer chains through nanopores is a fundamental biological process and has many potential applications in biotechnologies. The flow‐induced translocation of a single polymer chain cross a nanopore in a fluidic channel is investigated using molecular dynamics simulations with dissipative particle dynamics thermostat. The results show that the scaling exponent for a polymer chain length‐dependent average translocation time changes from 1.19 to 1.37 when the flux increases. By evaluating the blockage behavior in the entrance of the narrow part of the fluidic channel it is further found that the relatively long‐range backward correlated motions are markedly restrained and the average size of memory effect clusters changes from 6–8 beads to 4 beads when the flux is enhanced. This change indicates that the relatively long‐range memory effect is progressively replaced by a more local memory effect and the extra factors for the control of flow‐driven translocation dynamics such as the entropy barrier, viscous drag force and imbalance of chain tension would act in conjunction with each other to varying degrees depending on the magnitude of the flux strength. © 2015 Society of Chemical Industry