Primitive chain network simulations of probe rheology,Soft Matter

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Primitive chain network simulations of probe rheology
Soft Matter ( IF 2.9 ) Pub Date : 2017-09-04 00:00:00 , DOI: 10.1039/c7sm01229b
Yuichi Masubuchi _{1,

2,

3} , Yoshifumi Amamoto _{1,

2,

3} , Ankita Pandey _{1,

2,

3} , Cheng-Yang Liu _{4,

5,

6}

Affiliation

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.

中文翻译：

探针流变学的原始链网络模拟

进行了探针流变学实验，其中讨论了溶解在固定的基质链中的少量探针链的动力学，以开发用于纠缠聚合物动力学的分子理论。尽管假设将探针流变学中的探针链动力学视为固定管形封闭中的单链动力学，但尚未完全阐明。例如，与传统的分子理论不同，探针链的端到端松弛比单分散熔体慢。在这项研究中，探针链的粘弹性和介电弛豫是通过原始链网络模拟来计算的。该模拟以半定量方式再现了介电弛豫，这反映了约束释放对端到端弛豫的影响。还获得了粘弹性弛豫时间的合理协议。然而，粘弹性松弛强度被低估了，这可能是由于探针和基质链之间的链间互相关模型中的某些缺陷所致。

更新日期：2017-09-13

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