MOFs超高效吸附PPCPs及光控再生：性能及机理研究

The research on the adoptive removal of Pharmaceutical and Personal Care Products (PPCPs) via metal-organic frameworks (MOFs) is emerging. The regeneration of MOFs saturated by PPCPs achieved by light irradiation is more attractive, due to the advantages like low energy consumption and organic solvents free. Also, the irradiation of light with specific wavelength might realize the adsorption of specific PPPCs, which is valuable in the concentration and separation of PPCPs matrix in environmental sample pretreatment. Considering the current demand of PPCPs removal from wastewater, this proposal is committed to design and synthesize new MOFs with ultra-high adsorption capacity toward PPCPs, which can be regenerated by light-controlled desorption property. The structure-property relationship of these MOFs will be investigated via the comparison of different adsorption capacities toward PPCPs. The influence factors like pH, initial concentration of adsorbate, adsorbent dosage and foreign ions will be studied. The corresponding adsorption isotherm models, kinetic behavior, thermodynamic parameters will be established and calculated. The possibility of light-controlled desorption (regeneration of MOF adsorbent) will be verified, in which the light wavelength and intensity will be calculated from the adsorption binding energy between MOF and specific PPCPs. Both the adsorption and desorption mechanisms will be clarified with the help of theoretical calculation and modern analytical instruments. The expected results of this proposal will provide solid basic study of MOFs as adsorbents with ultra-high adsorption capacity toward PPCPs, along with the new regeneration method of statured adsorbents via light-controlled desorption, which will tap a new door to both the MOFs and organic pollutants treatments.

MOFs用于吸附PPCPs的研究尚处于起步阶段，利用光控特性实现脱附再生的研究更不多见。利用光控脱附吸附质不仅能通过低耗能、无污染手段实现吸附剂再生，还可以通过调控某个波段光线实现特定种类污染物的脱附。基于去除废水中PPCPs这一目标，设计并合成具有超强吸附和光控再生能力的MOFs。研究不同结构MOFs吸附PPCPs的差异，确立构效关系；考察pH、吸附质初始浓度、吸附剂用量和盐度等因素对吸附效果的影响及交互作用规律；确立吸附剂对污染物的吸附模型、吸附动力学行为和吸附热力学参数。考察通过光控手段实现吸附剂再生的可能性，通过计算吸附剂与污染物吸附结合能确定光控再生所需光线波长和强度。通过计算和表征技术探明吸附剂吸/脱附污染物对应的机理。项目研究结果不仅为超高效吸附剂去除新兴有机污染物实际应用提供技术基础和理论依据，还能用于痕量有机污染物富集和分离等前处理，具有重要的科学意义和较高的实用价值。

MOFs及其复合物用于吸附PPCPs等污染物已经得到广泛研究，但是利用光控特性实现脱附再生的研究更不多见。利用光控脱附吸附质不仅能通过低耗能、无污染手段实现吸附剂再生，还可以通过调控某个波段光线实现特定种类污染物的脱附。基于去除废水中污染物这一目标，设计并合成具有超强吸附和光控再生能力的MOFs及MOFs复合物。研究了不同结构MOFs及复合物吸附污染物的差异，确立了构效关系；考察pH、吸附质初始浓度、吸附剂用量和盐度等因素对吸附效果的影响及交互作用规律；确立了吸附剂对污染物的吸附模型、吸附动力学行为和吸附热力学参数。通过计算吸附剂与污染物吸附结合能确定光控再生所需光线波长和强度，并确立了光控脱附的机理。项目研究结果不仅为超高效吸附剂去除新污染物实际应用提供技术基础和理论依据，还能用于痕量污染物富集和分离等前处理，具有重要的科学意义和较高的实用价值。

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