半稀释聚电解质溶液和复杂共胶体中的流体力学

Shensheng Chen, Zhen-Gang Wang
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引用次数: 0

摘要

一般认为,高密度聚电解质(PE)溶液(如半稀聚电解质溶液和聚电解质复合物凝聚体)中的流体力学受到严重屏蔽,无关紧要。在这里,我们利用明确考虑了流体动力学的中尺度分子动力学,证明了亚扩散体系中的分段动力学显示出强烈的流体动力学相互作用特征,这些特征远远超出了具有中等短链的半稀释聚乙烯溶液的相关长度。在含有中等短链的混悬液体系中也观察到了强烈的流体力学效应,即使聚乙烯浓度高达 30 (%)美元。我们的研究填补了现有高密度聚乙烯溶液模拟文献的空白,并提示了流体力学在更广泛的聚合物/聚电解质溶液体系的传输和流变特性中的重要性。
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Hydrodynamics in Semidilute Polyelectrolyte Solutions and Complex Coacervates
It is generally assumed that hydrodynamics in dense polyelectrolyte (PE) solutions, such as semidilute PE solutions and PE complex coacervates, is heavily screened and inconsequential. Here, using mesoscale molecular dynamics that explicitly accounts for hydrodynamics, we show that segmental dynamics in the subdiffusive regime show strong signatures of hydrodynamic interactions that persist well beyond the correlation length of semidilute PE solutions with moderately short chains. The strong hydrodynamic effects are also observed in coacervate systems containing moderately short chains, even with PE concentration as high as $30\%$. Our work fills a gap in the existing simulation literature on dense PE solutions and hints at the importance of hydrodynamics in the transport and rheological properties in broader polymer/polyelectrolyte solution systems.
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