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Reconstruction of the Reptation Theory Based on the Dual Slip-Link Model

基于双滑杆模型的爬行理论重构

基本信息

批准号：
13450390
负责人：
DOI Masao
金额：
$ 4.74万
依托单位：
Nagoya University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
2001
资助国家：
日本
起止时间：
2001 至 2003
项目状态：
已结题

项目摘要

We have proposed a new model, called the dual slip-link model, to describe the viscoelasticity of entangled polymers. It is a new extension of the classical reptation model. In the reptation model, the entanglement constraint is represented by a slip-link through which the polymer can pass. In the classical reptation model, the slip link confines a single polymer, and its position is fixed to the material. In the dual slip-link model, the slip-link confine a pair of chains, and its position is determined by the dynamics of the polymers. The dual slip-link model can take into account of the interaction between the entangled polymers, and can predict the dynamics of the polydisperse systems.We have implemented the dual slip-link model into a simulator. There are two versions for the simulator. In the first version, the slip-links are assumed to be fixed to the material: the interaction between the chains is taken into account only through the fact that the slip-link is destructed when one of the two chains constrained by the slip-link disengage the slip-link by reptation. In the second version, the position of the slip-links are determined by solving the equation of motion for the position of the slip-links. The first version is simpler and faster than the second version, but cannot take into account the fluctuation of the entanglement effect. For linear polymers, both version give nearly the same results, while the difference between the model become 'significant for branched polymers. Both programs are placed on the public domain at http://octa.jp.

我们提出了一个新的模型，称为双滑链模型，来描述纠缠聚合物的粘弹性。它是经典复制模型的新扩展。在重复模型中，缠结约束用一个聚合物可以通过的滑链来表示。在经典的重复模型中，滑移连接限制了单个聚合物，其位置固定在材料上。在双滑移链模型中，滑移链约束一对链，其位置由聚合物的动力学特性决定。双滑移链模型考虑了纠缠聚合物之间的相互作用，可以预测多分散体系的动力学特性。我们已经在模拟器中实现了双滑杆模型。模拟器有两个版本。在第一个版本中，假设滑环固定在材料上：链条之间的相互作用仅通过以下事实来考虑：当受滑环约束的两条链中的一条通过重复脱离滑环时，滑环就会被破坏。在第二种版本中，通过求解滑杆位置的运动方程来确定滑杆的位置。第一个版本比第二个版本更简单，更快，但不能考虑纠缠效应的波动。对于线性聚合物，两种模型给出的结果几乎相同，而对于支链聚合物，两种模型之间的差异变得非常显著。这两个程序都位于http://octa.jp的公共领域。