High-efficiency removal of methcathinone from water using a novel DES modified magnetic biochar nanocomposite

作者全名："Huang, Jing; Cao, Shurui; Liu, Zhenghong; Tian, Jie; Xi, Cunxian; Chen, Zhiqiong"

作者地址："[Huang, Jing; Chen, Zhiqiong] Chongqing Med Univ, Coll Pharm, Chongqing 400016, Peoples R China; [Cao, Shurui; Liu, Zhenghong; Tian, Jie] Southwest Univ Polit Sci & Law, Forens Identificat Ctr, Chongqing 401120, Peoples R China; [Cao, Shurui] Southwest Univ Polit Sci & Law, Criminal Invest Law Sch, Chongqing 401120, Peoples R China; [Xi, Cunxian] Inspection Tech Ctr Chongqing Customs, Chongqing 400020, Peoples R China; [Chen, Zhiqiong] Chongqing Med Univ, 1 Med Coll Rd, Chongqing 400016, Peoples R China"

通信作者："Chen, ZQ (通讯作者)，Chongqing Med Univ, 1 Med Coll Rd, Chongqing 400016, Peoples R China."

来源：JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING

ESI学科分类：　

WOS号：WOS:000860399100006

JCR分区：Q1

影响因子：7.7

年份：2022

卷号：10

期号：5

开始页：　

结束页：　

文献类型：Article

关键词：Deep eutectic solvent; Magnetic biochar; Methcathinone; DFT simulations

摘要："Deep eutectic solvent (DES), an environmentally friendly solvent, has drawn the growing interest of the academic community due to its distinctive physicochemical properties and widespread applications. In this work, magnetic biochar modified with DES (DES-MBC) has been fabricated and utilized to efficiently remove methcathinone from water. Batch experiments and density functional theory (DFT) simulations were utilized to explore the adsorption performance and mechanism of DES-MBC. Under optimal conditions, the removal rates of DES-MBC were highly remarkable with 93.26% and 95.85% in water containing methcathinone of 0.5 mg.L-1 and 1.0 mg.L-1, respectively. DFT simulations revealed that DES incorporation lowered the HOMO-LUMO energy gap (delta E-gap) and introduced additional reaction sites (e. g. hydroxyl groups and quaternary amino groups) which could react with methcathinone to increase the adsorption capacity of DES-MBC. Combining the results of experiments and simulations, the main removal mechanism between methcathinone and DES-MBC were electro-static interaction, hydrogen bond and 7C-7C interaction. In conclusion, DES modification was an effective strategy to enhance the adsorption capacity for methcathinone from water in practical applications. This study will contribute to the deep and extensive understanding of the microscopic adsorption mechanism so as to help optimize and develop more excellent adsorbents."

基金机构："Chongqing Science and Technology Commission, China [cstc2019jscxmsxmX0274, cstc2021jcyj-msxmX0715]; Chongqing Municipal Education Commission, China [KJZD-K202100301, KJCXZD2020016]; Science and Technology Bureau of Yubei District, Chongqing, China [13]; Southwest University of Political Science and Law, China [2021-XZRCXM005]"

基金资助正文："This work was supported by the Chongqing Science and Technology Commission, China (cstc2021jcyj-msxmX0715); the Chongqing Municipal Education Commission, China (KJZD-K202100301); the Chongqing Municipal Education Commission, China (KJCXZD2020016); the Chongqing Science and Technology Commission, China (cstc2019jscxmsxmX0274); the Science and Technology Bureau of Yubei District, Chongqing, China (2021 (Agricultural Cooperative) 13); the Southwest University of Political Science and Law, China (2021-XZRCXM005)."