Moisio J E, Piili J, Linna R P
GE Healthcare, Kuortaneenkatu 2, FI-00510 Helsinki, Finland.
Department of Computer Science, Aalto University, P.O. Box 15400, FI-00076 Aalto, Finland.
Phys Rev E. 2016 Aug;94(2-1):022501. doi: 10.1103/PhysRevE.94.022501. Epub 2016 Aug 25.
We investigate the driven polymer translocation through a nanometer-scale pore in the presence and absence of hydrodynamics both in good and bad solvent. We present our results on tension propagating along the polymer segment on the cis side that is measured for the first time using our method that works also in the presence of hydrodynamics. For simulations we use stochastic rotation dynamics, also called multiparticle collision dynamics. We find that in the good solvent the tension propagates very similarly whether hydrodynamics is included or not. Only the tensed segment is by a constant factor shorter in the presence of hydrodynamics. The shorter tensed segment and the hydrodynamic interactions contribute to a smaller friction for the translocating polymer when hydrodynamics is included, which shows as smaller waiting times and a smaller exponent in the scaling of the translocation time with the polymer length. In the bad solvent hydrodynamics has a minimal effect on polymer translocation, in contrast to the good solvent, where it speeds up translocation. We find that under bad-solvent conditions tension does not spread appreciably along the polymer. Consequently, translocation time does not scale with the polymer length. By measuring the effective friction in a setup where a polymer in free solvent is pulled by a constant force at the end, we find that hydrodynamics does speed up collective polymer motion in the bad solvent even more effectively than in the good solvent. However, hydrodynamics has a negligible effect on the motion of individual monomers within the highly correlated globular conformation on the cis side and hence on the entire driven translocation under bad-solvent conditions.
我们研究了在良溶剂和不良溶剂中,存在和不存在流体动力学情况下,聚合物通过纳米级孔的驱动转位。我们展示了关于沿顺式侧聚合物链段传播的张力的结果,这是首次使用我们的方法测量得到的,该方法在存在流体动力学的情况下也能起作用。对于模拟,我们使用随机旋转动力学,也称为多粒子碰撞动力学。我们发现,在良溶剂中,无论是否包含流体动力学,张力的传播非常相似。只是在存在流体动力学时,受拉的链段会按一个常数因子缩短。较短的受拉链段和流体动力学相互作用使得包含流体动力学时转位聚合物的摩擦力减小,这表现为等待时间更短,以及转位时间与聚合物长度的标度关系中的指数更小。与良溶剂中转位加速相反,在不良溶剂中流体动力学对聚合物转位的影响最小。我们发现,在不良溶剂条件下,张力不会沿聚合物显著传播。因此,转位时间与聚合物长度无关。通过在一个实验装置中测量有效摩擦力,在该装置中自由溶剂中的聚合物在末端受到恒定力的拉动,我们发现流体动力学在不良溶剂中比在良溶剂中更有效地加速了聚合物的集体运动。然而,在不良溶剂条件下,流体动力学对顺式侧高度相关的球状构象内单个单体的运动影响可忽略不计,因此对整个驱动转位的影响也可忽略不计。