Comparison among multi-chain models for entangled polymer dynamics
Comparison among multi-chain models for entangled polymer dynamics
复制标题
缠结聚合物动力学多链模型的比较
DOI：
10.1039/c8sm00948a
复制
发表时间：
2018
期刊：
影响因子：
3.4
通讯作者：
Uneyama Takashi
中科院分区：
文献类型：
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作者：
Masubuchi Yuichi;Uneyama Takashi
虽然已经提出了许多粗粒度模型来跟踪纠缠聚合物的长期行为，但不同模型之间的兼容性并没有经常讨论。本文研究了多链滑环模型（原始链网络模型）和多链滑环模型的扩散量、松弛模量、链维数和缠结密度等动态和静态量，并与标准串珠弹簧模型的结果进行了比较。对于扩散，有三种模型兼容长度、时间和头（段）数（或分子量）单位的尺度转换参数。考虑到纠缠密度和模量单位的附加尺度转换可以适应模型依赖性，松弛模量也是兼容的。由于模型的非高斯性较弱，链的尺寸有较小的偏差。除了这些似是而非的相容性外，松弛模量的链间相互关系也存在显著差异。
Although lots of coarse-grained models have been proposed to trace the long-term behaviors of entangled polymers, compatibility among the different models has not been frequently discussed. In this study, some dynamical and static quantities, such as diffusion, relaxation modulus, chain dimension, and entanglement density, were examined for the multi-chain slip-link model (primitive chain network model) and the multi-chain slip-spring model, and the results were compared with those reported for the standard bead-spring model. For the diffusion, three models are compatible with scale-conversion parameters for units of length, time and bead (segment) number (or the molecular weight). The relaxation modulus is also compatible given that the model dependence can be accommodated by the entanglement density and the additional scale-conversion for the unit of modulus. The chain dimension is reasonably coincident with small deviations due to the weak non-Gaussianity of the models. Apart from these plausible compatibilities, significant discrepancies have been found for the inter-chain cross-correlations in the relaxation modulus.