Standardization and micromechanistic study of tetracycline adsorption by biochar  

作　　者：Xiaotong Zhang Jinju Hou Shudong Zhang Tong Cai Shujia Liu Wenjin Hu Qiuzhuo Zhang 

机构地区：[1]Shanghai Key Lab for Urban Ecological Processes and Eco-Restoration,Shanghai Engineering Research Center of Biotransformation of Organic Solid Waste,School of Ecological and Environmental Sciences,East China Normal University,Shanghai 200241,China. [2]School of Chemical and Environmental Engineering,Shanghai Institute of Technology,Shanghai 201418,China. [3]Shanghai SUS Environment Co.,LTD,Shanghai 201703,China. [4]Institute of Eco-Chongming(IEC),3663 N.Zhongshan Rd,Shanghai 200062,China. [5]Technology Innovation Center for Land Spatial Eco-Restoration in Metropolitan Area,Ministry of Natural Resources,3663 N.Zhongshan Road,Shanghai 200062,China.

出　　处：《Biochar》2024年第1期186-200,共15页生物炭(英文)

基　　金：the Natural Science Foundation of China(52300166);National Natural Science Foundation of China(No.52270125);the National Key Research and Development Program of China(2018YFC1901005);the Shanghai Science and Technology Committee(No.21ZR1421300 and 22DZ1209600);the Shanghai Sailing Program(23YF1446200).

摘　　要：Modification serves as an excellent approach to enhancing the adsorption performance of biochar for tetracycline.Selective modification further allows the attainment of biochar materials that are not only more efficient but also cost-effective.However,the key structural factors influencing the adsorption of tetracycline by biochar remain unclear at present,hindering the effective guidance for modification strategies.This study established the relationship between carbonization degree and adsorption capacity,constructed a standardized microscopic model for biochar adsorption of tetracycline,and explored potential reaction mechanisms.The results indicated that with increases in the degree of carbonization,the tetracycline adsorption capacity of biochar increased from 16.08 mg L−1 to 98.35 mg L−1.The adsorption energy exhibited a strong correlation with the aromatic condensation of biochar at p≤0.01,with a linear relationship(r2≥0.94).For low carbonization degrees,the adsorption of tetracycline by biochar was primarily driven by chemical bonds(69.21%)and complemented with electrostatic interactions,weak van der Waals forces orπ-πinteractions.For high carbonization degrees,the synergistic effects of hydrogen bonding,van der Waals forces,andπ-πinteractions determined the adsorption of tetracycline on biochar(91.1%).Additionally,larger carbon clusters resulted in stronger and more stable adsorption interactions.Furthermore,carboxyl-functionalized highly carbonized biochar displayed the highest reaction energy of−1.8370 eV for adsorption of tetracycline through electrostatic interactions.This study suggests that a high degree of aromatic condensation in the carbon structure of biochar is crucial for the efficient adsorption of tetracycline.

关 键 词：ANTIBIOTICS TETRACYCLINES Density functional theory Carbon 

分 类 号：O64[理学—物理化学]