Effects of excluded volume and hydrodynamic interactions on the behavior of isolated bead-rod polymer chains in shearing flow
Effects of excluded volume and hydrodynamic interactions on the behavior of isolated bead-rod polymer chains in shearing flow
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排除体积和流体动力学相互作用对孤立珠棒聚合物链在剪切流中行为的影响
DOI：
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
R. Larson
中科院分区：
文献类型：
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作者：
I. S. Dalal;C. Hsieh;Alex Albaugh;R. Larson
详细研究了流体动力相互作用（HI）和排斥体积（EV）对剪切流中孤立珠-杆链的影响，其中“杆”由刚性Fraenkel弹簧模拟。据观察，在弱和中等剪切速率下的变形行为是定性相似的观察到的聚合物链在没有EV和HI，而在高剪切速率是敏感的建模细节和链分辨率。我们的模拟具有不同程度的分辨率揭示了在EV（无HI）存在下链行为的普遍性，而在HI（无EV）存在下向压缩链过渡的开始随着链分辨率的增加而向更高的剪切速率转变。结果还突出了成功的珠弹簧模型在预测链的行为在剪切流动中HI的存在下，当HI参数被适当地选择。© 2014美国化学工程师学会AIChE J，60：1400-1412，2014
A detailed study of the effects of hydrodynamic interaction (HI) and excluded volume (EV), on isolated bead-rod chains in shear flows, where the “rods” are mimicked by stiff Fraenkel springs is presented. It is observed that the deformation behavior at weak and intermediate shear rates is qualitatively similar to that observed for polymer chains in the absence of EV and HI, while that at high-shear rates is sensitive to modeling details and chain resolution. Our simulations with varying degrees of resolution reveal universality in chain behavior in the presence of EV (without HI), while the onset of the transition to a compressed chain in the presence of HI (without EV) shifts to higher shear rates with increasing chain resolution. The results also highlight the success of the bead-spring models in predicting the chain behavior in shear flows in the presence of HI, when the HI parameter is appropriately chosen. © 2014 American Institute of Chemical Engineers AIChE J, 60: 1400–1412, 2014