密集polymer刷中的臂缩回动力学
Arm retraction dynamics in dense polymer brushes
摘要：
大规模蒙特卡罗模拟的接枝聚合物链在良好的溶剂条件下的致密层被用来探索松弛的聚合物刷。分析了平行于和垂直于嫁接平面的方向上的位移。各个段或链段的自关联函数作为时间的函数被监测。我们表明，接枝层以及在刷政权的终端弛豫时间$τ$指数增长与聚合度$N$的链，$τ\propto N^{3}\exp(N/N_{e})$，与$N_{e}$的聚合度在刷。缠结的聚合物刷的一个具体特征是垂直分量的后期弛豫对于所有区段都一致。我们使用这个观察来提取纠缠刷的终端弛豫时间。
英文摘要：
Large scale Monte Carlo simulations of dense layers of grafted polymer chains in good solvent conditions are used to explore the relaxation of a polymer brush. Monomer displacements are analyzed for the directions parallel and perpendicular to the grafting plane. Auto-correlation functions of individual segments or chain sections are monitored as function of time. We demonstrate that the terminal relaxation time $τ$ of grafted layers well in the brush regime grows exponentially with degree of polymerization $N$ of the chains, $τ\propto N^{3}\exp(N/N_{e})$, with $N_{e}$ the entanglement degree of polymerization in the brush. One specific feature of entangled polymer brushes is that the late time relaxation of the perpendicular component coincides for all segments. We use this observation to extract the terminal relaxation time of an entangled brush.
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