Primitive chain network simulations of probe rheology
Primitive chain network simulations of probe rheology
复制标题
探针流变学的原始链网络模拟
DOI：
10.1039/c7sm01229b
复制
发表时间：
2017
期刊：
影响因子：
3.4
通讯作者：
Yoshifumi Amamoto and Chen-Yang Liu
中科院分区：
文献类型：
--
作者：
Yuichi Masubuchi;Ankita Pandey;Yoshifumi Amamoto and Chen-Yang Liu
探针流变学实验，其中少量的探针链溶解在不动的矩阵链的动力学进行了讨论，已经进行了纠缠聚合物动力学的分子理论的发展。虽然探针流变学中的探针链动力学被假设为固定管形约束中的单链动力学，但它尚未完全阐明。例如，探针链的端到端弛豫比单分散熔体慢，不同于传统的分子理论。在这项研究中，粘弹性和介电弛豫的探针链计算的原始链网络模拟。模拟半定量地再现了介电弛豫，这反映了约束释放对端到端弛豫的影响。粘弹性松弛时间也得到了公平的协议。然而，粘弹性松弛强度被低估，可能是由于探针和基质链之间的链间互相关模型中的一些缺陷。
Probe rheology experiments, in which the dynamics of a small amount of probe chains dissolved in immobile matrix chains is discussed, have been performed for the development of molecular theories for entangled polymer dynamics. Although probe chain dynamics in probe rheology is considered hypothetically as single chain dynamics in fixed tube-shaped confinement, it has not been fully elucidated. For instance, the end-to-end relaxation of probe chains is slower than that for monodisperse melts, unlike the conventional molecular theories. In this study, the viscoelastic and dielectric relaxations of probe chains were calculated by primitive chain network simulations. The simulations semi-quantitatively reproduced the dielectric relaxation, which reflects the effect of constraint release on the end-to-end relaxation. Fair agreement was also obtained for the viscoelastic relaxation time. However, the viscoelastic relaxation intensity was underestimated, possibly due to some flaws in the model for the inter-chain cross-correlations between probe and matrix chains.