"Enhanced adsorption of 3,4-methylenedioxymethamphetamine by magnetic graphene oxide-polydopamine nanohybrid modified zeolitic imidazolate framework-67 and its micro-mechanism: Experiments and calculations"

作者全名："Cao, Shurui; Tian, Yu; Liu, Yan; Xi, Cunxian; Su, Hongtao; You, Jiade; Liu, Zhenghong; Chen, Zhiqiong"

作者地址："[Cao, Shurui; Su, Hongtao; You, Jiade; Liu, Zhenghong] 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; [Tian, Yu; Liu, Yan; Chen, Zhiqiong] Chongqing Med Univ, Coll Pharm, Chongqing 400016, Peoples R China; [Xi, Cunxian] Inspect Tech Ctr Chongqing Customs, Chongqing 400020, Peoples R China"

通信作者："Cao, SR (通讯作者)，Southwest Univ Polit Sci & Law, Forens Identificat Ctr, Chongqing 401120, Peoples R China.; Cao, SR (通讯作者)，Southwest Univ Polit Sci & Law, Criminal Invest Law Sch, Chongqing 401120, Peoples R China."

来源：JOURNAL OF CHROMATOGRAPHY A

ESI学科分类：CHEMISTRY

WOS号：WOS:000973938400001

JCR分区：Q1

影响因子：3.8

年份：2023

卷号：1695

期号：　

开始页：　

结束页：　

文献类型：Article

关键词：Polydopamine; Quantum chemical computation; ZIFs-based composites

摘要："Exploring the structure-dependent adsorption mechanism of contaminants in wastewater is beneficial to high-efficiency adsorbents design and environmental remediation. In this study, emerging porous material of zeolitic imidazolate framework-67 (ZIF-67) has been modified by the magnetic graphene oxide-polydopamine nanohybrid (mGOP) to obtain three-dimensional ZIF-67/mGOP through an in-situ growth strategy, which was applied to adsorb 3,4-methylenedioxymethamphetamine (MDMA, ""ecstasy"") in wastewater. A combination of characterizations, experiments (pH, humic acid and ion strength effect) and quantum chemical calculations revealed the microscopic adsorption mechanism involves each single component, of which the hydrogen bond (O/N center dot center dot center dot H-O) and pi-pi electron donor acceptor (pi-pi EDA) interactions of mGOP endowed favourable adsorption of ZIF-67/mGOP, and mechanisms of the pore filling and Co-O chelation of ZIF-67 played synergistic effect. Such nanocomposite as a ZIFs-based adsorbent exhibited ultra-high porosity (total pore volume = 0.4033 cm(3)/g) and specific surface area (995.22 m(2)/g), revealed the heterogeneity and multilayer adsorption properties, and obtained a theoretical maximum adsorption capacity of 159.845 mu g/g which higher than that of mZIF-67 alone. Overall, this work provided an effective strategy for rationally modulate ZIFs-based composites and exploration of adsorption mechanism. (c) 2023 Elsevier B.V. All rights reserved."

基金机构："Chongqing Municipal Education Commission [KJCXZD2020016, KJZD-K202100301]; Chongqing Science and Technology Commission [cstc2019jscx-msxmX0274, cstc2021jcyj-msxmX0715]; Chongqing Yubei District Science and Technology Bureau project [2021 (Agricultural Cooperative) 13]; Southwest University of Political Science and Law [2021-XZRCXM005]"

基金资助正文："~This work was supported by the Chongqing Municipal Education Commission (Grant No. KJCXZD2020016 and KJZD-K202100301) ; the Chongqing Science and Technology Commission (Grant No. cstc2019jscx-msxmX0274 and cstc2021jcyj-msxmX0715) ; Chongqing Yubei District Science and Technology Bureau project (Grant No. 2021 (Agricultural Cooperative) 13) , and Southwest University of Political Science and Law (Grant No. 2021-XZRCXM005) ."