Kim Han-Jung, Park Seon Joo, Kim Dong-Ik, Lee Sanghyuck, Kwon Oh Seok, Kim Il Ku
Advanced Materials Component Research Center, Gumi Electronics & Information Technology Research Institute (GERI), Gumi, 39171, South Korea.
Infectious Disease Research Center, Korea Research Institute of Bioscience and Biotechnology (KRIBB), Daejeon, 34141, South Korea.
Sci Rep. 2019 May 7;9(1):7015. doi: 10.1038/s41598-019-43127-4.
In this study, we use density functional theory (DFT) calculations to investigate the effect of moisture on the performance of three types of nanofiber (NF)-based air-filter media prepared by electrospinning polyvinyl alcohol, polyvinylidene fluoride, and polyacrylonitrile (PAN). Based on the DFT calculations of the intermolecular interactions between the NF-based filter media and water molecules, the PAN-NF filter is expected to exhibit the best performance in the wet state. Experiment studies also successfully demonstrate that the PAN-NF filter medium has better performance in the filtration of particulate matter (PM) than a commercial semi-high efficiency particulate air filter under wet conditions, and these results are in good agreement with the DFT calculation. The PAN-NF filter shows better performance because of its hydrophilic nature and the relatively low thickness the filter medium that allowed fast recovery of its PM-filtration performance.
在本研究中，我们使用密度泛函理论（DFT）计算来研究水分对通过静电纺丝制备的三种基于纳米纤维（NF）的空气过滤介质性能的影响，这三种介质分别由聚乙烯醇、聚偏二氟乙烯和聚丙烯腈（PAN）制成。基于对基于NF的过滤介质与水分子之间分子间相互作用的DFT计算，预计PAN-NF过滤器在湿态下表现出最佳性能。实验研究还成功表明，在潮湿条件下，PAN-NF过滤介质在过滤颗粒物（PM）方面比商用半高效空气过滤器具有更好的性能，这些结果与DFT计算结果高度吻合。PAN-NF过滤器表现出更好的性能是因为其亲水性以及过滤介质相对较低的厚度，这使得其PM过滤性能能够快速恢复。
