Concentration dependence of shear and extensional rheology of polymer solutions: Brownian dynamics simulations
Concentration dependence of shear and extensional rheology of polymer solutions: Brownian dynamics simulations
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聚合物溶液的剪切和拉伸流变学的浓度依赖性：布朗动力学模拟
DOI：
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发表时间：
2006
期刊：
影响因子：
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通讯作者：
M. Graham
中科院分区：
文献类型：
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作者：
C. Stoltz;J. Pablo;M. Graham
我们考虑浓度对稀聚合物溶液的结构和流变性质的影响，通过使用布朗动力学模拟。此处使用的模型是Jendrejack等人[J. Chem. Phys. 116，7752-7759（2002）]在良好溶剂条件下针对λ-噬菌体DNA的模型，该模型结合了排除体积和流体动力学相互作用效应，并且已被证明可以定量预测分子的非平衡行为在稀释极限下。我们的工作涵盖了整个稀释制度，选定的调查半稀释制度，以及跨越几十年的剪切和拉伸流速。在简单的剪切流中，与无限稀释的情况相比，在重叠浓度下观察到链延伸增加20%和降低的聚合物粘度增加30%。此外，预测的剪切粘度是在非常好的协议与实验观察。在拉伸流中，我们观察到更强的浓度...
We consider the effects of concentration on the structural and rheological properties of dilute polymer solutions via the use of Brownian dynamics simulations. The model used here is that of Jendrejack et al. [J. Chem. Phys. 116, 7752–7759 (2002)] for λ-phage DNA under good solvent conditions, which incorporates excluded volume and hydrodynamic interaction effects, and has been shown to quantitatively predict the nonequilibrium behavior of the molecule in the dilute limit. Our work covers the entire dilute regime, with selected investigations into the semidilute regime, as well as spanning multiple decades of both shear and extensional flow rates. In simple shear flow, as much as a 20% increase in chain extension and 30% increase in the reduced polymer viscosity is observed at the overlap concentration, as compared to the infinitely dilute case. Additionally, predicted shear viscosities are in very good agreement with experimental observations. In elongational flow, we observe much stronger concentration ...
影响因子：
2.4
作者：
Chen, YL;Graham, MD;Doyle, PS
通讯作者：
Doyle, PS