采用分子动力学(MD)方法研究了高分子单链受限在2块不可穿透的平行板之间且平行板内有均匀分布的障碍物时的扩散行为.模拟结果发现:分子链的链长N及障碍物间距d对高分子链扩散系数D影响很大.链越长(N越大),扩散越慢(D越小)；同时障碍物间距d越小,扩散越慢(D越小).障碍物对高分子链的形状因子及链大小也有影响.障碍物间距d越小时,高分子链更接近棒状,链尺寸也较大.这些研究结果有助于全面了解高分子链在受限环境下的构象及动力学过程.%The dynamical behaviors and conformational properties of a single polymer chain confined in two impene-flat walls containing uniform distribution obstacles were investigated by molecular dynamics (MD) simulations. The chain length N and the spacing d between the obstacles have great influence on the diffusion coefficient D. The longer the length of the chains N is, the less the diffusion efficient D iss as well as the less the spacing d is, the slower the dynamics is. Besides, the obstacles also affect the shape factor and the chain size deeply. When the spacing d between the obstacles is small, the shape factor and the chain size become large. These investigations can provide insights into the conformational and dynamical properties of the confined polymer chains.
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