具有界面区域的聚合物/CNT纳米复合材料中气态粒子转移的随机模型
Stochastic model for transfer of gaseous particles in polymer/CNT nanocomposites with interfacial regions
AI总结:
提出考虑聚合物耗尽界面区的聚合物/CNT纳米复合材料气体输运随机模型,揭示自由体积导致的反常扩散及扩散系数随CNT密度变化的阈值效应。
摘要:
本工作提出了一种气态粒子在聚合物/CNT纳米复合材料中转移的随机模型。该模型考虑了界面区域,即聚合物耗尽区。局部输运机制由聚合物密度控制。在致密聚合物中,该机制对应普通扩散;而在自由体积区域中,则对应弹道输运。在CNT壁附近引入自由体积和/或耗尽聚合物层,会导致反常扩散的出现。我们展示了在不同聚合物密度分布下,纳米管存在时反常扩散机制如何变化。所提出的方法使我们能够将扩散系数的阈值效应描述为聚合物/CNT纳米复合材料中CNT密度的函数。
英文摘要:
In this work a stochastic model of gaseous transfer in polymer/CNT nanocomposites is presented. The model takes into account interfacial areas, i.e. polymer depletion regions. The local regime of transport is controlled by the density of the polymer. In a dense polymer, this regime corresponds to the ordinary diffusion, while in free volume regions it corresponds to the ballistic transport. The introduction of a free volume and/or a depleted polymer layer near to a CNT wall, leads to the emergence of anomalous diffusion. We have demonstrated how the anomalous diffusion regime changes in the presence of nanotubes for different distributions of polymer density. The presented approach allows us to describe the threshold effect in the diffusion coefficient as a function of CNTs density in polymer/CNT nanocomposites.
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