Nondriven polymer translocation through a nanopore: Computational evidence that the escape and relaxation processes are coupled

作者：Gauthier Michel G^*; Slater Gary W

来源：Physical Review E, 2009, 79(2): 021802.

DOI：10.1103/PhysRevE.79.021802

• membranes
• molecular dynamics method
• nanoporous materials
• polymers
• relaxation

Most of the theoretical models describing the translocation of a polymer chain through a nanopore use the hypothesis that the polymer is always relaxed during the complete process. In other words, models generally assume that the characteristic relaxation time of the chain is small enough compared to the translocation time that nonequilibrium molecular conformations can be ignored. In this paper, we use molecular dynamics simulations to directly test this hypothesis by looking at the escape time of unbiased polymer chains starting with different initial conditions. We find that the translocation process is not quite in equilibrium for the systems studied, even though the translocation time tau is about 10 times larger than the relaxation time tau(r). Our most striking result is the observation that the last half of the chain escapes in less than similar to 12% of the total escape time, which implies that there is a large acceleration of the chain at the end of its escape from the channel.

• 出版日期2009-2