新型纤维素基超分子材料对水中镉-壬基酚复合污染的定向同步去除机制

本项目针对目前吸附法在处置水中镉(Cd)-壬基酚(NP)复合污染时存在的问题：吸附材料分子设计往往顾此失彼及材料对复合污染物同步去除机制尚不明确等，在前期研究基础上，拟在微波辅助下，通过定向功能化修饰与交联聚合，将纤维素分子与β-环糊精超分子复合，制备新型纤维素基超分子材料，使其既有能吸附Cd的活性官能团，又有可选择性包结NP的疏水性空腔；探明材料结构与吸附性能之间的构效关系，考察复合污染物的交互作用及再生水灌溉环境因子对材料吸附性能的影响；采用等温吸附模型、吸附动力学模型和吸附热力学模型分析，借助FTIR、XPS和XAFS等相关表征手段，结合密度泛函理论计算，阐明材料与复合污染物间π-π作用、氢键及配位键的协同效应，揭示再生水灌溉环境下复合污染交互作用对协同效应的影响机制，以期为保障灌溉水质安全、加强农田土壤污染源头预防提供理论依据，具有重要的科学意义和潜在的应用价值。

To address problems of the current adsorption method in water treatment of cadmium (Cd)-nonylphenol (NP) combined pollution: the molecular design of absorbents often cared for this and lost that, and simultaneous removal mechanism of combined pollutants was unclear, the project will combine cellulose with β-cyclodextrin to synthesize new cellulose-based supramolecular materials by directional functionalization and cross linking under microwave irradiation on the basis of previous studies. Materials in the project will possess active functional groups that can adsorb cadmium (Cd) and hydrophobic cavities that can selectively enclose nonylphenol (NP); the structure-activity relationship between structure of adsorbents and their adsorption performance will be discussed; the influence of interaction effects of combined pollutants and environmental factors of reclaimed water irrigation on the adsorption performance will be investigated; analysis of isothermal adsorption, adsorption kinetic and thermodynamic models, combined with characterization methods such as FTIR, XPS and EXAFS and density functional theory calculations, will be applied to clarify the synergistic effects of π-π interactions, hydrogen bonds and coordination bonds between materials and combined pollutants; the impact mechanism of combined pollution interaction effects on the synergistic effect in the reclaimed water irrigation environment will be revealed. This work aims to provide a theoretical foundation for guaranteeing irrigation water quality and strengthening the prevention of farmland soil pollution sources, which is of great scientific significance and potential application value.