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Reptation of a semiflexible polymer through porous media

机译:通过多孔介质撕裂半柔性聚合物

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We study the motion of a single stiff semiflexible filament of length S through an array of topological obstacles. By means of scaling arguments and two-dimensional computer simulations, we show that the stiff chain kinetics follows the reptation picture, albeit with kinetic exponents (for the central monomer) different from those for flexible chain reptation. At early times when topological constraints are irrelevant, the chain kinetics is the anisotropic dynamics of a free filament. After the entanglement time τ_e transverse modes are equilibrated under the topological constraints, but the chain is not yet correlated over its whole length. During the relaxation of longitudinal modes, both the longitudinal fluctuation of the central monomer and the longitudinal correlation length grow as ~t. After time τ_r ~ S~2 chain ends are correlated, the chain then diffuses globally along the tube and tube renewal takes place. In the reptation regime, the longitudinal fluctuation of the central monomer grows like ~ t~1. The opening of the intermediate ~t regime, absent for a free filament, is a signature of the reptation process. Although the underlying physics is quite different, the intermediate regime is reminiscent of the internal Rouse mode relaxation found for reptating flexible chains. In most cases asymptotic power laws from scaling could be complemented by prefactors calculated analytically. Our results are supported by two-dimensional Langevin simulations with fixed obstacles via evaluation of the mean squared displacement of the central monomer. The scaling theory can be extended to long semiflexible polymers adopting random-walk equilibrium configurations and should also apply in three dimensions for porous media with pore diameter smaller than the persistence length of the filament.
机译:我们研究了通过一系列拓扑障碍的长度为S的单个硬质半柔丝的运动。通过比例论证和二维计算机模拟,我们显示了刚性链动力学遵循重复图谱,尽管其动力学指数(对于中心单体)不同于柔性链重复。在拓扑约束无关紧要的早期,链动力学是自由长丝的各向异性动力学。在纠缠时间τ_e之后,在拓扑约束下平衡了横模,但链的整个长度尚未关联。在纵向模态松弛过程中,中心单体的纵向波动和纵向相关长度都随着〜t的增大而增大。在时间τ_r〜S〜2的链末端相关之后,该链随后沿管整体扩散,并进行管更新。在复现状态下,中央单体的纵向波动增长到〜t〜1。自由花丝所不存在的中间〜t模式的开放是复制过程的标志。尽管基本物理原理有很大不同,但中间机制使人想起了用于复制柔性链的内部Rouse模式松弛。在大多数情况下,可以通过分析计算出的前置因子来补充标度的渐近幂定律。通过评估中心单体的均方位移,在固定障碍物的二维Langevin模拟中支持了我们的结果。定标理论可以扩展到采用随机游走平衡构型的长半柔性聚合物,并且还应在三维上适用于孔径小于长丝持久性的多孔介质。

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