Rheology Control of Nano-particle Dispersionsby Associating Polymers

在缔合聚合物对球形纳米粒子分散体的流变性控制方面，通过分子动力学模拟找到了凝胶形成所需的纳米粒子数量与聚合物链的最佳比例。我们还发现，随着链刚性的增加，零剪切粘度增加，剪切增稠行为增强。关于纳米复合凝胶的弹性性质，我们通过粗粒分子模拟发现，纳米复合凝胶高延伸性的分子来源是聚合物与粘土颗粒的单轴拉伸解离。

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.