Department of Physics, Zhejiang University, Hangzhou 310027, People's Republic of China.
J Phys Condens Matter. 2012 Aug 15;24(32):325104, 1-8. doi: 10.1088/0953-8984/24/32/325104. Epub 2012 Jun 26.
The effects of an attractive wall at the trans side on the translocation of an eight-site bond-fluctuation model (BFM) polymer through a pore in a membrane under driving are simulated by the dynamic Monte Carlo method. The attractive wall shows two contrary effects: its excluded volume effect reduces configuration entropy and thus hinders the translocation of the polymer, while its attraction decreases the energy and thus accelerates the translocation. At a critical polymer-wall interaction ε* ≈- 1, we find that the two effects compensate each other and the translocation time τ is roughly independent of the separation distance between the wall and the pore. The value ε* ≈- 1 is roughly equal to the critical adsorption point for the BFM polymer. Moreover, the value of the critical attraction is roughly independent of chain length N and chemical potential difference Δμ. At last, a scaling relation τ ∼ N(α) is observed for polymer translocation at a high value of NΔμ. Though the translocation time is highly dependent on the polymer-wall interaction and pore-wall separation distance, the exponent α is always about 1.30 ± 0.05 so long as NΔμ is large enough.
用动态蒙特卡罗方法模拟了在驱动力作用下,带正电荷的壁对通过膜孔的八位点键涨落模型(BFM)聚合物输运的影响。正电荷壁具有两种相反的作用:其排斥体积效应降低了构象熵,从而阻碍了聚合物的输运,而其吸引力则降低了能量,从而加速了输运。在聚合物-壁相互作用的临界值ε*≈-1 时,我们发现这两种效应相互补偿,并且输运时间 τ 大致与壁和孔之间的分离距离无关。值 ε*≈-1 大致等于 BFM 聚合物的临界吸附点。此外,临界吸引值大致与链长 N 和化学势差 Δμ无关。最后,在 NΔμ 值较高的情况下,观察到聚合物输运的标度关系 τ∼N(α)。尽管输运时间高度依赖于聚合物-壁相互作用和孔-壁分离距离,但只要 NΔμ 足够大,指数 α 始终约为 1.30±0.05。