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Dynamiccal Theory of Gelation Process

凝胶过程动力学理论

基本信息

批准号：
07805086
负责人：
DOI Masao
金额：
$ 1.41万
依托单位：
Nagoya University
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (C)
财政年份：
1995
资助国家：
日本
起止时间：
1995 至 1996
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-07805086/
关键词：
Gelation Gel-Sol Transition Simulation Bridging Reaction Structure Formation 構造形成ゾル・ゲル転移

项目摘要

Gelation is a phenomena that a material transforms from a fluid state (the state that flows under infinitesimal strees) to a solid state (the state that cannot flow). The phenomena has been identified as the formation of an infinite network, and has often been discussed in the framework of the percolation theory, where it has been studied when and how an infinite network is formed when monomers or bonds are placed randomly on a lattice \ cite {Family}. However, in such set up of the problem the actual molecular dynamics is not taken into account.Tostudy the structural evolution associated with gelation, we performed a computer simulation for the gelation process of telechelic polymers which have two reaction sites (stickers) at both ends of the chain. We assume that (i) when stickers contact with each other, they form a cluster and move together then after, and that (ii) there is a maximum number of stickers in the cluster. The structural evolution of the system before and after the gelation point is studied.It is found that (i) as the gelation proceeds, a large concentration inhomogeneity is created as in the case of spinodal decomposition, (ii) this structural evolution take place very slowly over the period long after an infinite network is formed, and (iii) the structural evolution is stopped by the elastic effect of the network.

凝胶化是材料从流体状态（在无穷小应力下流动的状态）转变为固态（不能流动的状态）的现象。这种现象被认为是无限网络的形成，并且经常在渗流理论的框架中进行讨论，其中研究了当单体或键随机放置在晶格上时何时以及如何形成无限网络\引用{族}。然而，在这种问题的设置中，没有考虑实际的分子动力学。为了研究与凝胶化相关的结构演化，我们对链两端都有两个反应位点（粘着物）的遥爪聚合物的凝胶化过程进行了计算机模拟。我们假设（i）当贴纸相互接触时，它们形成一个簇并一起移动，并且（ii）簇中的贴纸数量达到最大。研究了凝胶化点之前和之后体系的结构演化。发现：（i）随着凝胶化的进行，会像旋节线分解的情况一样产生很大的浓度不均匀性，（ii）这种结构演化在无限网络形成后的很长一段时间内发生得非常缓慢，（iii）结构演化被网络的弹性效应停止。