Physical Properties of Catenate Networks

1)本文从理论和计算机模拟两方面研究了双官能团高分子链与双官能团连接剂的端基连接反应形成链状网络的过程。结果发现，Rigbi和Mark首先尝试的这种方法只形成少量的环和链状网络。2）将高分子链的布朗运动引入到作者提出的局部结模型中。通过局部最大化高斯积分确定了高分子链上局部结点沿着的位置。爬行运动被分配到一个集体运动的局部结沿着聚合物链。导出了单个局域结的扩散系数及其集体运动的表达式，并讨论了爬行运动的分子起源。3）对链状网络中高分子链的布朗运动进行了计算机模拟。正如我们的理论所预测的那样，我们观察到许多在模拟过程中从未消失的局部结，它们沿着沿着聚合物链行进，并且表现得像颗粒，就好像排斥力作用在相邻的局部结之间。我们还观察到这些局域结的集体运动，这是分配给爬行运动。在模拟中得到的单个局部结的扩散系数与我们的理论预测吻合得很好。

1) The catenate network formation by end-linking reaction of polymer chains having two reactive end-groups with bifunctional linking reagents is studied theoretically and by computer simulation. It is found that this method, which was first tried by Rigbi and Mark, gives only small amount of rings and ncatenate networks are formed. Another method which gives true catenate network is newly proposed.2) The Brownian motion of polymer chains is newly introduced into the local-knot model, which has previously been proposed by one of the authors. Position of local-knots along a polymer chain is determined by ocally maximizing the Gauss integral. Reptation motion is assigned to a collective motion of local knots along a polymer chain. Expressions of the diffusion coefficient of individual local-knot and its collective motion are derived and the molecular origin of the reptation is discussed.3) Computer simulations are performed on the Brownian motion of polymer chains in catenated networks. As predicted by our theory, we observed many local-knots, which never disappear during the simulation, travel along polymer chains and behave like particles as if repulsion forces act between adjacent local-knots. We also observed a collective motion of these local-knots, which is assigned to the reptation motion. The diffusion coefficient for individual local-knot obtained in the simulation agrees well with that predicted by our theory.