老化微塑料表面特性与亲水性药物结构间双模式吸附构效机制研究

微塑料作为有机污染物的载体，是影响有机污染物在水体中迁移扩散的重要因素。目前，有关微塑料与亲水性有机污染物间吸附行为的研究相对较少，且仅凭实验手段难以满足研究需求。本项目选取10种不同结构的亲水性NSAIDs类药物作为目标污染物，以环境中广泛存在的具有不同结构的聚乙烯（PE）和聚苯乙烯（PS）作为微塑料代表。通过不同的老化方式改变微塑料的理化性质，以此来改变其对NSAIDs的吸附能力，进而系统地研究NSAIDs在微塑料表面的吸附和解吸行为特性。通过构建涵盖微塑料理化性质模块与NSAIDs分子结构性质模块的双模式吸附构效关系，提升对水体中微塑料与亲水性有机污染物间吸附行为特性的预测能力。根据模型所含参数类型及系数大小，阐明微塑料和NSAIDs理化性质对吸附行为的影响规律。本项目的实施可为评价环境微塑料对亲水性有机污染物迁移扩散的影响及评估由此带来的生态环境风险提供科学依据。

As a carrier of organic pollutants，microplastics are the important factor affecting the migration and diffusion of organic pollutants in water. At present, the research on the adsorption behavior between microplastics and hydrophilic organic pollutants is relatively few, and it is difficult to meet the research needs only by experimental methods. This proposal intends to select 10 kinds of hydrophilic NSAIDs with different structures as the target pollutants, and polyethylene (PE) and polystyrene (PS) with different structures widely existed in the environment are selected as the representatives of microplastics. The physiochemical properties of microplastics will be changed by different aging methods, to change the adsorption ability of microplastics for NSAIDs, and then the adsorption and desorption behavior of NSAIDs on the surface of microplastics will be systematically investigated. A dual-mode interfacial structure-activity relationship covering the physicochemical property modules of microplastics and the NSAIDs is developed to improve the ability to predict the adsorption behavior of microplastics and hydrophilic organic pollutants in water. According to the parameter types and coefficients in the developed model, the influence of the physicochemical properties of microplastics and NSAIDs on the adsorption behavior will be clarified. This proposal will provide a scientific basis for evaluating the impact of environmental microplastics on the migration and diffusion of hydrophilic organic pollutants and assessing the resulting ecological and environmental risks.