Ryder J F, Yeomans J M
Rudolf Peierls Centre for Theoretical Physics, 1 Keble Road, Oxford OX1 3NP, England.
J Chem Phys. 2006 Nov 21;125(19):194906. doi: 10.1063/1.2387948.
We use bead-spring models for a polymer coupled to a solvent described by multiparticle collision dynamics to investigate shear thinning effects in dilute polymer solutions. First, we consider the polymer motion and configuration in a shear flow. For flexible polymer models we find a sharp increase in the polymer radius of gyration and the fluctuations in the radius of gyration at a Weissenberg number approximately 1. We then consider the polymer viscosity and the effect of solvent quality, excluded volume, hydrodynamic coupling between the beads, and finite extensibility of the polymer bonds. We conclude that the excluded volume effect is the major cause of shear thinning in polymer solutions. Comparing the behavior of semiflexible chains, we find that the fluctuations in the radius of gyration are suppressed when compared to the flexible case. The shear thinning is greater and, as the rigidity is increased, the viscosity measurements tend to those for a multibead rod.
我们使用珠簧模型来描述与通过多粒子碰撞动力学描述的溶剂耦合的聚合物,以研究稀聚合物溶液中的剪切变稀效应。首先,我们考虑聚合物在剪切流中的运动和构型。对于柔性聚合物模型,我们发现在魏森贝格数约为1时,聚合物的回转半径和回转半径的波动会急剧增加。然后,我们考虑聚合物粘度以及溶剂质量、排除体积、珠子之间的流体动力耦合和聚合物链的有限可伸长性的影响。我们得出结论,排除体积效应是聚合物溶液中剪切变稀的主要原因。比较半柔性链的行为,我们发现与柔性情况相比,回转半径的波动受到抑制。剪切变稀更大,并且随着刚性的增加,粘度测量值趋向于多珠杆的测量值。