阳离子对邻氯苯甲酸在碳纳米管上吸附影响机制研究  

Adsorption Mechanism of o-Chlorobenzoic Acid Affected by Cation on Carbon Nanotubes

作　　者：张迪[1,4] 尹基宇 石林 于梦梦 张凰 ZHANG Di;YIN Jiyu;SHI Lin;YU Mengmeng;ZHANG Huang(Faculty of Environmental Science and Engineering,Kunming University of Science and Technology,Kunming 650500,China;Sichuan Guohuan Environmental Engineering Consulting Co. Ltd .,Chengdu 610011,China;The Institute of Food Safety in Yunnan Province,Kunming University of Science and Technology,Kunming 650500,China;Yunnan Provincial Key Lab of Carbon Sequestration and Pollution Control in Soils,Kunming 650500,China)

机构地区：[1]昆明理工大学环境科学与工程学院,云南昆明650500 [2]四川省国环环境工程咨询有限公司,四川成都610011 [3]昆明理工大学云南省食品安全研究院,云南昆明650500 [4]云南省土壤固碳与污染控制重点实验室,云南昆明650500

出　　处：《昆明理工大学学报（自然科学版）》2019年第4期110-116,共7页Journal of Kunming University of Science and Technology(Natural Science)

基　　金：国家自然科学基金项目(41663014);云南省中青年学术和技术带头人后备人才项目(2018HB008);中国博士后科学基金项目(2017M610615)

摘　　要：以碳纳米管(carbon nanotubes)为模型吸附剂,在不同pH下,探究不同水合半径和价态的金属离子对邻氯苯甲酸(o-chlorobenzoic acid)吸附的影响机理.结果表明,低pH下,金属离子抑制了CNTs对2-CBA的吸附,抑制作用受离子水合半径的控制;高pH下,金属离子促进了CNTs对2-CBA的吸附,价态越高、水合半径越小的金属离子促进2-CBA吸附的能力越强,反之,促进2-CBA吸附的能力越弱.金属离子与邻氯苯甲酸结合键能的高斯计算结果表明,价态越高、水合半径越小的金属离子与2-CBA之间的键能越大,说明两者相互作用越强.显然,金属离子对2-CBA在CNTs上吸附的影响一方面取决于其带电量,另一方面取决于其水合半径,两者之间的平衡效应可能是决定2-CBA吸附行为的关键.At different pHs,carbon nanotubes(CNTs)were used as model adsorbent to investigate the effect of different hydration radius and valence of metal ions on the adsorption of o-chlorobenzoic acid(2-CBA).The results showed that the adsorption of 2-CBA on CNTs was inhibited by metal ions at low pH.The inhibited adsorption was hydration radius-depended.At high pH,the adsorption of 2-CBA on CNTs was significantly promoted.Those metal ions,with the higher valence and the smaller hydration radius,showed the stronger ability to improve the adsorption of 2-CBA.On the contrary,those metal ions,with the lower valence and the larger hydration radius,had the weaker ability to improve the adsorption of 2-CBA.The binding energy of metal ions and 2-CBA by Gaussian calculation indicated that the interaction between metal ions with the higher valence and the smaller hydration radius and 2-CBA was muc h stronger than that between metal ions with the lower valence and the larger hydration radius and 2-CBA.This study implied that the adsorption of 2-CBA as affected by metal ions was likely controlled by a balance between the hydration radius and the valence of metal ions.

关 键 词：金属离子 水合层 电荷数 邻氯苯甲酸 碳纳米管 吸附机理 

分 类 号：X53[环境科学与工程—环境工程]