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将聚对苯二甲酸乙二酯废料升级回收为锌-金属有机框架集成壳聚糖-聚乙二醇半互穿聚合物网络泡沫用于快速去除刚果红且具有高再生效率:基于密度泛函理论对吸附机制的见解

Upcycling PET waste into Zn-MOF integrated chitosan-PEG semi-IPN foams for rapid congo red removal with high regeneration efficiency: DFT insights into adsorption mechanism.

作者信息

Ghosh Disha, Sarkar Kishor

机构信息

Gene Therapy and Tissue Engineering Lab, Department of Polymer Science and Technology, University of Calcutta, 92, A.P.C. Road, Kolkata 700009, India.

Gene Therapy and Tissue Engineering Lab, Department of Polymer Science and Technology, University of Calcutta, 92, A.P.C. Road, Kolkata 700009, India.

出版信息

Int J Biol Macromol. 2025 Sep;323(Pt 2):147263. doi: 10.1016/j.ijbiomac.2025.147263. Epub 2025 Aug 30.

DOI:10.1016/j.ijbiomac.2025.147263
PMID:40889657
Abstract

Plastic pollution, especially from polyethylene terephthalate (PET) waste, presents a significant environmental threat. In this study, a sustainable approach is demonstrated by upcycling PET waste into a zinc-based metal-organic framework (Zn-TPA MOF) and integrating it into a chitosan (CS)/polyethylene glycol (PEG) semi-interpenetrating polymer network (semi-IPN) to fabricate a porous composite foam via solution casting and freeze-drying. The resulting Zn-TPA@CS/PEG foam exhibits a highly porous architecture, mechanical robustness, and abundant active sites, enabling efficient dye adsorption. Characterization techniques (FTIR, XRD, SEM, BET, and TGA) confirmed the structural and chemical integrity of the composite. The foam showed an outstanding adsorption capacity of 585 mg/g for Congo Red (CR), achieving over 97 % removal within 20 min. It also exhibited strong performance in binary dye systems, with excellent selectivity and adaptability. The foam retained more than 95 % efficiency after six reuse cycles. Density functional theory (DFT) analysis confirmed the key role of MOF in adsorption, with a high binding energy of -919.55 kcal/mol, supported by hydrogen bonding and electrostatic interactions. This work presents a green and efficient strategy for transforming plastic waste into high-performance adsorbents for wastewater treatment, addressing both environmental pollution and water contamination challenges.

摘要

塑料污染,尤其是来自聚对苯二甲酸乙二酯(PET)废弃物的污染,对环境构成了重大威胁。在本研究中,展示了一种可持续的方法,即将PET废弃物升级循环利用为锌基金属有机框架材料(Zn-TPA MOF),并将其整合到壳聚糖(CS)/聚乙二醇(PEG)半互穿聚合物网络(半IPN)中,通过溶液浇铸和冷冻干燥制备出一种多孔复合泡沫材料。所得的Zn-TPA@CS/PEG泡沫具有高度多孔的结构、机械稳定性和丰富的活性位点,能够实现高效的染料吸附。表征技术(傅里叶变换红外光谱、X射线衍射、扫描电子显微镜、比表面积分析仪和热重分析)证实了该复合材料的结构和化学完整性。该泡沫对刚果红(CR)的吸附容量高达585 mg/g,在20分钟内去除率超过97%。它在二元染料体系中也表现出优异的性能,具有出色的选择性和适应性。经过六次重复使用循环后,该泡沫仍保持超过95%的效率。密度泛函理论(DFT)分析证实了MOF在吸附过程中的关键作用,其结合能高达-919.55 kcal/mol,氢键和静电相互作用对其起到了支持作用。这项工作提出了一种绿色高效的策略,可将塑料废弃物转化为用于废水处理的高性能吸附剂,同时应对环境污染和水污染挑战。

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