Perfluoroisobutyronitrile (CFN) mixed with CO has emerged as a promising eco-friendly alternative to sulfur hexafluoride (SF) in gas-insulated equipment (GIE). However, thermal or discharge faults in GIE inevitably lead to the generation of harmful decomposition by-products, necessitating their prompt removal to safeguard equipment operation and personnel safety. In this study, we propose a nanofiber composite material comprising polyacrylonitrile (PAN) as the base and multi-metal organic frameworks (MOFs) as the primary adsorbent material for removing typical decomposition components of CFN/CO gas mixture. Utilizing grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations, we elucidate the selective adsorption mechanisms. Experimental results show that PAN@HKUST-1(Cu) exhibits superior adsorption efficiency for fluorocarbon gases compared to PAN@MIL-101(Cr), while the latter demonstrates better performance for nitrile gases. The PAN@HKUST-1(Cu)/MIL-101(Cr) composite adsorbent effectively removes eight typical harmful decomposition products while minimally affecting CFN. Our findings suggest that PAN@HKUST-1(Cu)/MIL-101(Cr) nanofiber film holds promise as an adsorbent for CFN/CO based GIE.

中文翻译：

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高选择性PAN@MOFs复合纳米纤维去除C4F7N/CO2有害分解产物

与 CO 混合的全氟异丁腈 (CFN) 已成为气体绝缘设备 (GIE) 中六氟化硫 (SF) 的一种有前景的环保替代品。然而，GIE中的热或放电故障不可避免地会导致有害分解副产物的产生，需要及时清除以保障设备运行和人员安全。在这项研究中，我们提出了一种以聚丙烯腈（PAN）为基础和多金属有机骨架（MOF）作为主要吸附剂材料的纳米纤维复合材料，用于去除CFN/CO气体混合物的典型分解组分。利用大正则蒙特卡罗（GCMC）和分子动力学（MD）模拟，我们阐明了选择性吸附机制。实验结果表明，与PAN@MIL-101(Cr)相比，PAN@HKUST-1(Cu)对碳氟化合物气体表现出优异的吸附效率，而后者对腈类气体表现出更好的性能。 PAN@HKUST-1(Cu)/MIL-101(Cr)复合吸附剂可有效去除八种典型的有害分解产物，同时将对CFN的影响降至最低。我们的研究结果表明，PAN@HKUST-1(Cu)/MIL-101(Cr) 纳米纤维薄膜有望作为 CFN/CO 基 GIE 的吸附剂。