Institute of Nanoscience and Nanotechnology, University of Kashan, Kashan 87317-51167, Iran.
J Chem Phys. 2013 Aug 21;139(7):074901. doi: 10.1063/1.4818419.
Translocation of a flexible polymer through a cone-shaped channel is studied, theoretically and using computer simulations. Our simulations show that the shape of the channel causes the polymer translocation to be a driven process. The effective driving force of entropic origin acting on the polymer is calculated as a function of the length and the apex-angle of the channel, theoretically. It is found that the translocation time is a non-monotonic function of the apex-angle of the channel. By increasing the apex-angle from zero, the translocation time shows a minimum and then a maximum. Also, it is found that regardless of the value of the apex-angle, the translocation time is a uniformly decreasing function of the channel length. The results of the theory and the simulation are in good qualitative agreement.
柔性聚合物通过锥形通道的传输的理论和计算机模拟研究。我们的模拟表明，通道的形状会导致聚合物传输成为一种驱动过程。理论上，计算了作为聚合物长度和通道顶角的函数的熵起源的有效驱动力。发现，转位时间是非单调函数的通道顶角。通过从 0 增加顶角，转位时间先出现最小值，然后出现最大值。此外，还发现，无论顶角的值如何，转位时间都是通道长度的均匀递减函数。理论和模拟的结果在定性上是一致的。
