Rheology Control of Nano-particle Dispersionsby Associating Polymers

在通过缔合聚合物控制球形纳米颗粒分散体的流变学方面，我们通过分子动力学模拟发现了用于凝胶形成的纳米颗粒和聚合物链的数量的最佳比例。我们还发现，通过增加链刚度，零剪切粘度增加，剪切增稠行为增强。在纳米复合凝胶的弹性性质方面，我们通过粗粒分子模拟发现，纳米复合凝胶的高延展性的分子起源是聚合物通过单轴拉伸从粘土颗粒中解离。

On rheology control of spherical nanoparticle dispersions by associating polymers, we found an optimum ratio of the number of nanoparticles and polymer chains for the gel formation by molecular dynamics simulations. We also found that, by increasing the chain stiffness, the zero-shear viscosity increases, and the shear thickening behavior is enhanced. On elastic properties of nanocomposite gels, we found by coarse-grained molecular simulations that the molecular origin of the high extensibility of the nanocomposite gels is the dissociation of polymers from clay particles by uniaxial elongation.