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剪切流中的活性极性环状聚合物——一项分析研究。

Active polar ring polymer in shear flow-An analytical study.

作者信息

Winkler Roland G, Singh Sunil P

机构信息

Theoretical Soft Matter and Biophysics, Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany.

Department of Physics, Indian Institute of Science Education and Research, Bhopal, Bhopal 462 066, Madhya Pradesh, India.

出版信息

J Chem Phys. 2024 Aug 14;161(6). doi: 10.1063/5.0220035.

Abstract

We theoretically study the conformational and dynamical properties of semiflexible active polar ring polymers under linear shear flow. A ring is described as a continuous semiflexible Gaussian polymer with a tangential active force of a constant density along its contour. The linear but non-Hermitian equation of motion is solved using an eigenfunction expansion, which yields activity-independent, but shear-rate-dependent, relaxation times and activity-dependent frequencies. As a consequence, the ring's stationary-state properties are independent of activity, and its conformations and rheological properties are equal to those of a passive ring under shear. The presence of characteristic time scales by relaxation and the activity-dependent frequencies give rise to a particular dynamical behavior. A tank-treading-like motion emerges for long relaxation times and high activities, specifically for stiff rings. In the case of very flexible polymers, the relaxation behavior dominates over activity contributions suppressing tank-treading. Shear strongly affects the crossover from a tank-treading to a relaxation-dominated dynamics, and the ring polymer exhibits tumbling motion at high shear rates. This is reflected in the tumbling frequency, which displays two shear-rate dependent regimes, with an activity-dependent plateau at low shear rates followed by a power-law regime with increasing tumbling frequency for high shear rates.

摘要

我们从理论上研究了半柔性活性极性环状聚合物在线性剪切流作用下的构象和动力学性质。环状聚合物被描述为一种连续的半柔性高斯聚合物,沿其轮廓具有恒定密度的切向活性力。利用本征函数展开求解线性但非厄米的运动方程,得到了与活性无关但与剪切速率有关的弛豫时间以及与活性有关的频率。因此,环状聚合物的稳态性质与活性无关,其构象和流变性质与剪切作用下的被动环状聚合物相同。弛豫特征时间尺度和与活性有关的频率的存在导致了一种特殊的动力学行为。对于长弛豫时间和高活性,特别是对于刚性环,会出现类似坦克履带式的运动。对于非常柔性的聚合物,弛豫行为占主导地位,抑制了活性贡献,从而抑制了坦克履带式运动。剪切强烈影响从坦克履带式运动到弛豫主导动力学的转变,环状聚合物在高剪切速率下表现出翻滚运动。这反映在翻滚频率上,其显示出两个与剪切速率有关的区域,在低剪切速率下有一个与活性有关的平台,随后在高剪切速率下随着翻滚频率增加呈现幂律区域。

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