Polymer nanocomposites based on impermeable fillers have been widely developed to improve gas barrier properties. These materials have to be viewed as three phase systems: the matrix, the fillers and an interphase layer between the filler and the matrix. In this paper, the effect of the interphase layer on the overall diffusivity of nanocomposites loaded with impermeable disk-like fillers is analyzed and quantified through 3D finite element modeling of mass diffusion. Ideal ordered filler distributions as well as random filler distributions are considered for filler content in the range 1–20 vol%. A parametric study covering interphase thickness to filler thickness ratio values between 0.125 and 0.5 and interphase diffusivity ratio D interphase / D matrix values from 10 −4 to 10 6 is presented and discussed. The results show that, depending on their quality (weakly or highly diffusive), the presence of interphases can be eith...

中文翻译：

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（纳米）复合材料中质量扩散的3D数值分析：填料-基体间相对阻隔性能的影响

基于不可渗透填料的聚合物纳米复合材料已得到广泛开发，以改善阻气性。这些材料必须视为三相系统：基体，填料和填料与基体之间的中间相层。在本文中，通过质量扩散的3D有限元建模，分析和量化了中间相层对负载有不透水盘状填料的纳米复合材料总扩散率的影响。填料含量在1–20 vol％范围内时，应考虑理想的有序填料分布和无规填料分布。提出并讨论了涵盖相间厚度与填料厚度之比值介于0.125和0.5之间以及相间扩散率D interphase / D matrix值从10 -4到10 6的参数研究。结果表明，