论文标题

活性浴中聚合物的流体动力学

Hydrodynamics of polymers in an active bath

论文作者

Martin-Gomez, Aitor, Eisenstecken, Thomas, Gompper, Gerhard, Winkler, Roland G.

论文摘要

活性聚合物在溶液中的构象和动力学特性取决于活性的性质,以及具有自propell的,活性的棕色颗粒型单体的聚合物的行为,与有色噪声力驱动的单体驱动的聚合物的构成不同。我们在存在外部活动噪声的情况下为聚合物提供了溶液中聚合物的仿真和理论结果。在模拟中,在分析计算中,考虑了一个半融合的珠子链链,是连续的线性蠕虫样链。独立的单体/位点速度考虑了活动,方向以扩散方式发生变化。在模拟中,rotne-prager-yamakawa张量或通过在多颗粒碰撞动力学方法中实现活性聚合物方法,考虑了流体动力相互作用(HI)。为了达到分析溶液,采用了可抗性的Oseen张量。主动过程暗示了通过聚合物松弛时间在HI上的固定态性质的依赖性。随着活性的增加,HI会导致柔性聚合物的肿胀增强,并且在HI或自由排水聚合物存在下,构象性能与具有自propelly单体的聚合物的构象特性大不相同。 HI增强了聚合物均方根位移。在广泛的时间尺度上,流体动力学导致柔性活性聚合物的位置均方根位移的副定向,其指数为(5/7),大于ROUSE(1/2)和ZIMM(2/3)模型的被动聚合物。

The conformational and dynamical properties of active polymers in solution are determined by the nature of the activity, and the behavior of polymers with self-propelled, active Brownian particle-type monomers differs qualitatively from that of polymers with monomers driven externally by colored noise forces. We present simulation and theoretical results for polymers in solution in the presence of external active noise. In simulations, a semiflexible bead-spring chain is considered, in analytical calculations, a continuous linear wormlike chain. Activity is taken into account by independent monomer/site velocities, with orientations changing in a diffusive manner. In simulations, hydrodynamic interactions (HI) are taken into account by the Rotne-Prager-Yamakawa tensor, or by an implementation of the active polymer in the multiparticle collision dynamics approach for fluids. To arrive at an analytical solution, the preaveraged Oseen tensor is employed. The active process implies a dependence of the stationary-state properties on HI via polymer relaxation times. With increasing activity, HI lead to an enhanced swelling of flexible polymers, and the conformational properties differ substantially from those of polymers with self-propelled monomers in presence of HI or free-draining polymers. The polymer mean square displacement is enhanced by HI. Over a wide range of time scales, hydrodynamics leads to a subdiffusive regime of the site mean square displacement for flexible active polymers, with an exponent of (5/7), larger than that of the Rouse (1/2) and Zimm (2/3) models of passive polymers.

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