Kuhnhold A, Paul W
Institut für Physik, Martin-Luther-Universität, Halle-Wittenberg, 06099 Halle (Saale), Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Aug;90(2):022602. doi: 10.1103/PhysRevE.90.022602. Epub 2014 Aug 5.
We present a molecular dynamics simulation study of the possibility of performing a microrheological analysis of a polymer melt by following the Brownian motion of a dispersed nanoparticle. We study the influence of the size of the nanoparticle, taken to be comparable to the radius of gyration of the chains, and of the strength of the interaction between the nanoparticle and the repeat units of the polymer chains. The influence of the presence of the nanoparticle on the melt mechanical behavior is analyzed, and the importance of effects of different levels of hydrodynamic analysis on the frequency-dependent dynamic shear modulus derived from the particle motion is worked out.
我们展示了一项分子动力学模拟研究，该研究旨在通过追踪分散纳米颗粒的布朗运动来对聚合物熔体进行微观流变学分析。我们研究了纳米颗粒尺寸（假定与链的回转半径相当）以及纳米颗粒与聚合物链重复单元之间相互作用强度的影响。分析了纳米颗粒的存在对熔体力学行为的影响，并确定了不同水平的流体动力学分析对从颗粒运动得出的频率相关动态剪切模量的影响的重要性。
