Macher Johannes, Golestaneh Pouyan, Macher Astrid E, Morak Matthias, Hausberger Andreas
Polymer Competence Center Leoben GmbH, Roseggerstraße 12, A-8700 Leoben, Austria.
Polymers (Basel). 2022 Aug 16;14(16):3327. doi: 10.3390/polym14163327.
Models describing how fillers affect the barrier properties of polymers remain an important research topic to improve applications such as hydrogen storage or food preservation. The Nielsen model, one of the earliest models for such predictions, is still one of the most widely used in the literature. However, it does not provide quantitative information on arrangements of fillers inside a polymer matrix, which is crucial for the definition of suitable filler distributions in barrier materials. Therefore, the channel model was developed in this work, which extends the Nielsen model by determining the relative distances between the fillers in regular filler arrangements in polymer matrices. This allows us to relate the permeation properties of filled polymer membranes to the geometric properties of the filler arrangement in simulations and experimental measurements. Simulations with geometries defined according to the channel model showed good agreement with the predictions of the Nielsen model. This demonstrated that the channel model can be a valuable tool for predicting at least mean geometric distances in studied polymer membranes. The validity range of the channel model was limited to a value range of the filler volume fraction 0.01≤ϕf≤0.5 based on theoretical considerations.
描述填料如何影响聚合物阻隔性能的模型，仍然是改善诸如储氢或食品保鲜等应用的重要研究课题。尼尔森模型是最早用于此类预测的模型之一，至今仍是文献中使用最广泛的模型之一。然而，它并未提供关于聚合物基体内填料排列的定量信息，而这对于定义阻隔材料中合适的填料分布至关重要。因此，本研究开发了通道模型，该模型通过确定聚合物基体中规则填料排列中填料之间的相对距离，对尼尔森模型进行了扩展。这使我们能够在模拟和实验测量中将填充聚合物膜的渗透性能与填料排列的几何特性联系起来。根据通道模型定义几何形状进行的模拟与尼尔森模型的预测结果吻合良好。这表明通道模型可成为预测所研究聚合物膜中至少平均几何距离的宝贵工具。基于理论考虑，通道模型的有效范围限于填料体积分数0.01≤ϕf≤0.5的值域。
