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漂移对通过混合膜的扩散传输影响的数值研究。

Numerical Study of Drift Influence on Diffusion Transport through the Hybrid Membrane.

作者信息

Krasowska Monika, Strzelewicz Anna, Dudek Gabriela, Cieśla Michał

机构信息

Faculty of Chemistry, Silesian University of Technology, Strzody 9, 44-100 Gliwice, Poland.

Institute of Theoretical Physics, Jagiellonian University, Łojasiewicza 11, 30-348 Kraków, Poland.

出版信息

Membranes (Basel). 2022 Aug 17;12(8):788. doi: 10.3390/membranes12080788.

Abstract

Sodium alginate membranes filled with iron oxide nanoparticles consist of a mixture of organic and inorganic phases. This design offers the possibility to combine the polymer's easy processability and superior separation performance. For a better understanding of the mechanisms of mixture separation, we analyze the diffusion motion of a particle in the hybrid membrane environment. We model structures of two-dimensional heterogenic membranes, which resemble real membrane structures, and then we simulate a random walk on them. We investigate how the additional action of drift changes the motion properties of the diffusing particles through the polymeric membrane filled with inorganic powder. We test the effect of two parameters: the distribution of obstacles (filling) in the membrane and the value of drift on the nature of diffusion. It appears that the synergy between drift, the diffusion, and the membrane structure affect the occurrence of the superdiffusive and subdiffusive character of particle motion as measured by the time-averaged mean square displacement. An important point is the observation that the strong drift supports subdiffusive motion as it increases the chances of particle trapping. Moreover, there exists the optimal value of drift, for which the transport through a membrane speeds up and does not cause trapping.

摘要

填充有氧化铁纳米颗粒的海藻酸钠膜由有机相和无机相的混合物组成。这种设计提供了将聚合物易于加工的特性和卓越的分离性能相结合的可能性。为了更好地理解混合物分离的机制,我们分析了颗粒在混合膜环境中的扩散运动。我们对类似于真实膜结构的二维非均质膜结构进行建模,然后在其上模拟随机游走。我们研究漂移的额外作用如何通过填充有无机粉末的聚合物膜改变扩散颗粒的运动特性。我们测试两个参数的影响:膜中障碍物(填充物)的分布以及漂移值对扩散性质的影响。结果表明,漂移、扩散和膜结构之间的协同作用会影响通过时间平均均方位移测量的颗粒运动的超扩散和亚扩散特性的出现。一个重要的观察点是,强漂移支持亚扩散运动,因为它增加了颗粒捕获的机会。此外,存在漂移的最佳值,在此值下通过膜的传输速度加快且不会导致捕获。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/84ff/9416707/d19cc360db08/membranes-12-00788-g001.jpg

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