Percolation analysis for estimating the maximum size of particles passing through nanosphere membranes
Percolation analysis for estimating the maximum size of particles passing through nanosphere membranes
复制标题
用于估计穿过纳米球膜的颗粒最大尺寸的渗滤分析
DOI：
10.1103/physreve.99.022904
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发表时间：
2019
影响因子：
2.4
通讯作者：
Zharov, Ilya
中科院分区：
文献类型：
--
作者：
White, Emily V.;Fullwood, David;Golden, Kenneth M.;Zharov, Ilya
逾渗理论可以用来研究各种多孔系统的流动特性。特别是，最近开发的膜从二氧化硅纳米粒子与表面接枝聚合物刷代表一个典型的硬球软壳系统，流体流动行为可以通过一个渗滤框架照明。然而，膜设计中的关键参数涉及颗粒的最大通过尺寸。虽然渗流理论考虑了系统的路径连通性，但很少明确考虑穿过空间的路径的大小。本文采用硬球软壳层渗流模型研究了颗粒在膜中的最大透过粒径。创建几何形状的像素化（与连续相反）表示，并与现成的同源软件相结合以分析渗流行为。该模型对以前发表的结果进行了验证。对于给定的球体体积分数，通过对球体施加迭代膨胀直到达到逾渗阈值来确定最大直径的扩散路径。最大粒径和球体积分数之间的一个简单的近似关系，推导出适用于膜设计。聚合物改性的二氧化硅纳米颗粒膜的实验颗粒截止尺寸结果被用作本文中创建的模型的部分验证。与单个球体尺寸的结果相比，发现球体尺寸分布（由生产过程自然产生）的影响可忽略不计。
Percolation theory can be used to study the flow-related properties of various porous systems. In particular, recently developed membranes from silica nanoparticles with surface grafted polymer brushes represent a quintessential hard-sphere soft-shell system for which fluid-flow behavior can be illuminated via a percolation framework. However, a critical parameter in membrane design involves the maximum pass-through size of particles. While percolation theory considers path connectedness of a system, little explicit consideration is given to the size of the paths that traverse the space. This paper employs a hard-sphere soft-shell percolation model to investigate maximum particle pass-through size of membranes. A pixelated (as opposed to continuous) representation of the geometry is created, and combined with readily available homology software to analyze percolation behavior. The model is validated against previously published results. For a given sphere volume fraction, the maximum diameter of a percolating path is determined by applying iterative dilations to the spheres until the percolation threshold is reached. A simple approximate relationship between maximum particle size and sphere volume fraction is derived for application to membrane design. Experimental particle cutoff size results for the polymer modified silica nanoparticle membranes were used as a partial verification of the model created in this paper. The presence of a distribution of sphere sizes (naturally created by the manufacturing process) is found to have negligible effect, compared to results for a single sphere size.