纳米塑料对依诺沙星的吸附及密度泛函理论计算  

Adsorption of nanoplastics on ENO and density functional theory calculations

作　　者：吴伟琴 吴渊 陈中锴 刘禄政 甘霖 李亚男[1,2] WU Weiqin;WU Yuan;CHEN Zhongkai;LIU Luzheng;GAN Lin;LI Yanan(College of Civil Engineering,Taiyuan University of Technology,Jinzhong 030600,China;College of Environmental Science and Engineering,Taiyuan University of Technology,Jinzhong 030600,China;China Tianchen Engineering Co.,Ltd.,Tianjin 300400,China;College of Mathematics and Physics,Beijing University of Chemical Technology,Beijing 102202,China;College School of Software,Taiyuan University of Technology,Jinzhong 030600,China)

机构地区：[1]太原理工大学土木学院,山西晋中030600 [2]太原理工大学环境科学与工程学院,山西晋中030600 [3]中国天辰工程有限公司,天津300400 [4]北京化工大学数理学院,北京102202 [5]太原理工大学软件学院,山西晋中030600

出　　处：《化工环保》2024年第6期835-843,共9页Environmental Protection of Chemical Industry

基　　金：山西省应用基础研究计划项目(20210302123121);山西省省筹资金资助回国留学人员科研资助项目(2023-054);2024年太原理工大学大学生创新训练计划项目(124)。

摘　　要：从吸附动力学和热力学两个角度考察了聚苯乙烯纳米微球(PSNPs)和羧基修饰的PSNPs(PSNPs-COOH)对水溶液中抗生素依诺沙星(ENO)的吸附特征,分析了pH、温度、大分子有机物和金属离子等因素对ENO吸附量的影响,探讨了PSNPs和PSNPs-COOH对ENO的吸附机理。实验结果表明:PSNPs和PSNPs-COOH对ENO的吸附特征符合准二级动力学模型和Langmuir等温吸附模型,为自发放热过程;在温度298 K、溶液pH 6.0、PSNPs或PSNPs-COOH质量浓度为2.5 mg/L、ENO质量浓度为10 mg/L的条件下,PSNPs和PSNPs-COOH对ENO的平衡吸附量分别为231 mg/g和257 mg/g;Na^(+)、Cu^(2+)和Zn^(2+)均对PSNPs和PSNPs-COOH吸附ENO的过程有明显的抑制作用;静电相互作用是PSNPs吸附ENO的主要机理;氢键作用和静电相互作用是PSNPs-COOH吸附ENO的主要机理。The adsorption behavior of polystyrene microspheres(PSNPs)and carboxyl-modified PSNPs(PSNPs−COOH)on antibiotic enoxacin(ENO)in aqueous solution was studied from the perspectives of adsorption kinetics and thermodynamics.The effects of pH,temperature,macromolecular organic matter,and metal ions on the adsorption capacity of ENO were analyzed,and the adsorption mechanism of PSNPs and PSNPs-COOH on ENO was discussed.The experimental results show that the adsorption characteristics of PSNPs and PSNPs-COOH on ENO are consistent with the quasi-second-order kinetics model and Langmuir isothermal adsorption model,which is a spontaneous exothermic process.Under the conditions of temperature of 298 K,pH of 6.0,mass concentration of PSNPs or PSNPs-COOH of 2.5 mg/L,and mass concentration of ENO of 10 mg/L,the adsorption capacities of PSNPs and PSNPs-COOH for ENO were 231 mg/g and 257 mg/g,respectively.The adsorption of ENO by PSNPs and PSNPs-COOH was significantly inhibited by Na^(+),Cu^(2+),and Zn^(2+).Electrostatic interaction is the main mechanism of ENO adsorption by PSNPs.Hydrogen bonding and electrostatic interaction are the main mechanisms of ENO adsorption by PSNPs-COOH.

关 键 词：纳米聚苯乙烯 羧基化 依诺沙星 吸附作用 密度泛函理论 

分 类 号：X52[环境科学与工程—环境工程]