In this work, we propose a simple way to predict the diffusion and rheological properties of linear-ring polymer blends (LRB) by taking into account the polymorphic nature of the ring polymer components. In LRB, the ring components are separated by free rings and threaded rings, and their different dynamic behaviors are confirmed with the help of molecular dynamics simulation. A master curve of the LRB was established as a function of the linear chain concentration, the molar mass of linear and ring polymers, and the fraction of free ring polymers. Furthermore, the diffusion coefficient of threaded ring chains and the relaxation modulus of the blend are obtained based on the tube model framework. In our model, the relaxation of the blend is correlated with the polymorphism of the ring components, in which the threaded ring polymers relax through a constraint release hopping dynamics, while the unthreaded ring chains relax as a free ring. The threaded ring also reduces the constraint release effect for linear chains. Our theoretical prediction agrees with both simulation and experimental data with proper parametrization, which can be used to predict the dynamics of linear/ring blends for a wide range of compositions.

中文翻译：

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从环组分的多晶型预测线性/环聚合物共混物的流变性

在这项工作中，我们提出了一种简单的方法，通过考虑环聚合物组分的多晶型性质来预测线性环聚合物共混物（LRB）的扩散和流变特性。在LRB中，环组件被自由环和螺纹环分开，并且借助分子动力学模拟证实了它们不同的动态行为。 LRB 的主曲线被建立为线性链浓度、线性和环状聚合物的摩尔质量以及游离环状聚合物的分数的函数。此外，基于管模型框架获得了螺纹环链的扩散系数和共混物的松弛模量。在我们的模型中，共混物的松弛与环组分的多态性相关，其中螺纹环聚合物通过约束释放跳跃动力学松弛，而无螺纹环链作为自由环松弛。螺纹环还降低了线性链条的约束释放效果。我们的理论预测与适当参数化的模拟和实验数据一致，可用于预测各种成分的线性/环共混物的动力学。