Collaborative Innovation Center for Advanced Nuclear Energy Technology, INET, Tsinghua University, Beijing 100084, PR China.
College of Chemistry and Materials Science, Sichuan Normal University, Chengdu 610066, PR China.
Mar Pollut Bull. 2019 Aug;145:547-554. doi: 10.1016/j.marpolbul.2019.06.063. Epub 2019 Jun 27.
Microplastics are becoming a global concern due to their potential to accumulate pollutants in aquatic environments. In this paper, sulfamethazine (SMT) sorption onto six types of microplastics, including polyamide (PA), polyethylene (PE), polyethylene terephthalate (PET), polypropylene (PP), polystyrene (PS), and polyvinyl chloride (PVC) was investigated by experimental and molecular dynamics simulation methods. The experimental results indicated that SMX sorption reached equilibrium within 16 h. The kinetics of SMT sorption by PA, PVC, PE, and PP could be fitted by pseudo first-order model, while SMT sorption by PA and PET could be described by pseudo second-order model. The partition coefficient K values were 38.7, 23.5, 21.0, 22.6, 18.6 and 15.1 L·kg for PA, PE, PS, PET, PVC and PP, respectively. SMT sorption onto microplastics decreased when pH and salinity increased. The molecular dynamics simulation results indicated that the main mechanisms involved in sorption are electrostatic and Van der Waals interaction.
由于微塑料有可能在水生环境中积累污染物，因此它们正成为全球关注的焦点。本文通过实验和分子动力学模拟方法研究了磺胺甲噁唑（SMT）在六种类型的微塑料上的吸附，包括聚酰胺（PA）、聚乙烯（PE）、聚对苯二甲酸乙二醇酯（PET）、聚丙烯（PP）、聚苯乙烯（PS）和聚氯乙烯（PVC）。实验结果表明，SMX 吸附在 16 小时内达到平衡。PA、PVC、PE 和 PP 上 SMT 的吸附动力学可以用拟一级模型拟合，而 PA 和 PET 上 SMT 的吸附可以用拟二级模型描述。PA、PE、PS、PET、PVC 和 PP 的分配系数 K 值分别为 38.7、23.5、21.0、22.6、18.6 和 15.1 L·kg-1。当 pH 和盐度增加时，微塑料对 SMT 的吸附减少。分子动力学模拟结果表明，吸附涉及的主要机制是静电和范德华相互作用。
