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Conformational fluctuations of a tethered polymer in uniform flow

机译:束缚聚合物在均匀流动中的构象波动

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The decay of correlations in the conformational fluctuations of tethered polymer subjected to a uniform flow is analyzed in terms of relaxation times and associated normal modes. These quantities are calculated numerically from Brownian dynamics simulations of several bead spring polymer models. In this way, the influence of different effects like a finite extensibility of the springs and excluded-volume as well as hydrodynamic interactions between the beads on the decay of fluctuations is identified. Moreover, by comparison of the simulation results to analytically tractable blob models with corresponding assumptions, the capability of the tensile-blob picture to predict relaxation times and modes is assessed. For excluded-volume and hydrodynamic interactions a crossover to Rouse-like behavior occurs when the flow velocity and hence the polymer deformation exceeds a certain value. For finitely extensible springs, in contrast, the relaxation times decrease monotonically with increasing polymer deformation. This latter behavior differs from assumption often used in rheological modeling by dumbbells and is not captured by the blob model.
机译:根据弛豫时间和相关的法线模式,分析了均匀流动的束缚聚合物的构象波动中相关性的衰减。这些数量是根据几种珠状弹簧聚合物模型的布朗动力学模拟计算得出的。通过这种方式,可以确定不同影响的影响,例如弹簧的有限延伸性和排除体积,以及小珠之间的流体动力学相互作用对波动衰减的影响。此外,通过将仿真结果与具有相应假设的可分析处理的斑点模型进行比较,可以评估拉伸斑点图片预测弛豫时间和模式的能力。对于排除体积和流体动力学的相互作用,当流速和因此聚合物变形超过一定值时,发生类似于罗斯的行为的转变。相反,对于有限伸长的弹簧,松弛时间随聚合物变形的增加而单调减少。后一种行为不同于哑铃流变建模中经常使用的假设,并且斑点模型无法捕获。

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