pH 诱导分离稠环芳烃高效淋洗剂的设计合成与功能调控机理

针对现有表面活性剂对土壤中稠环芳烃去除效果差，稠环芳烃和表面活性剂难以从淋洗废液中分离等问题，本项目通过在多胺大分子中引入芳环和阴离子基团，设计合成一类通过pH调控可诱导分离的新型高效稠环芳烃淋洗剂。利用芳环与稠环间的π-π作用，通过调配芳环结构增加新型淋洗剂与稠环芳烃之间的相互作用，达到对稠环芳烃的高效去除效率；利用聚两性电解质的pH刺激响应特性，通过调控阴阳离子基团配比，使稠环芳烃和淋洗剂经pH诱导而分离出体系，并实现淋洗剂的回收和循环使用。采用密度泛函理论、Henderson-Hasselbalch方程和HLB值计算，研究新型淋洗剂分子结构与稠环芳烃的作用机理和pH诱导分离机理，建立分子结构调配与功能调控之间的关联。项目研究成果对阐明稠环芳烃的高效去除机理，揭示稠环芳烃的诱导分离调控规律具有重要意义，从而为可分离、高性能稠环芳烃淋洗剂的制备及其在土壤介质中的环境友好应用奠定基础。

Aiming at solving the problems such as poor removal efficiency of the present surfactant for the polycyclic aromatic hydrocarbons, and inseparable of the surfactant and the polycyclic aromatic hydrocarbons in the eluent, a novel eluting agent having high efficiency for the polycyclic aromatic hydrocarbons based on the pH induced separation will design and prepare by introducing aromatic ring and anionic group onto polyamine. By using of π-π interaction between aromatic ring and polycyclic aromatic hydrocarbons, the high removal efficiency for the polycyclic aromatic hydrocarbons can be achieved by adjusted the structure combination of the aromatic ring. Taking advantage of pH responsivity of the polyampholyte, by controlling the molar ratio of the anionic and cationic group, the eluting agent and polycyclic aromatic hydrocarbons can be separated by controlling the pH value. Density functional theory , Henderson-Hasselbalch equation and HLB value will be employed to study the mechanism of the interaction and pH induced separation between the structures of the eluting agent to the polycyclic aromatic hydrocarbons. The relationship between the molecular structure and functional regulation will be established. The research findings of this project will have the important significance on elucidating the high efficient mechanism for the polycyclic aromatic hydrocarbons and revealing the induced separated rules of the polycyclic aromatic hydrocarbons, which will lay a solid foundation for the preparation of the separable and high performance eluting agent and its environment-friendly application in the field of the soil.