PMID- 33640653 OWN - NLM STAT- MEDLINE DCOM- 20210405 LR - 20210405 IS - 1873-6424 (Electronic) IS - 0269-7491 (Linking) VI - 276 DP - 2021 May 1 TI - Computational study and optimization experiment of nZVI modified by anionic and cationic polymer for Cr(VI) stabilization in soil: Kinetics and response surface methodology (RSM). PG - 116745 LID - S0269-7491(21)00325-0 [pii] LID - 10.1016/j.envpol.2021.116745 [doi] AB - Nanoscale zero-valent iron (nZVI) modified by cationic polyquaternium-7 (M550-nZVI) or anionic carboxymethyl cellulose (CMC-nZVI) were freshly synthesized, and followed by the successful applicability for the stabilization of Cr(VI) in soil. Scanning electron microscope (SEM) showed that the sizes of M550-nZVI and CMC-nZVI were 42-170 nm and 66-200 nm, respectively. X-ray diffraction (XRD) confirmed the presence of Fe(0) and Fe(3)C in the as-synthesized composites. The kinetics were well fitted with pseudo-second order model (R(2) > 0.99), indicating that the process was principally chemical reduction. Additionally, we observed that M550-nZVI had better resistance to oxidation than that of CMC-nZVI. Besides, RSM experiments showed that acetate ion (AA) could promote the Cr(VI) removal but humic acid ion (HA) and carbonate ion (CA) resulted in negative effects. Moreover, the modeling predication revealed that the optimum Cr(VI) removal of 92.44% by CMC-nZVI was available, being 22.52% higher than that of M550-nZVI. In conclusion, this work demonstrated that the inoxidizability of M550-nZVI had a dominant advantage, while CMC-nZVI had the more excellent reactivity than M550-nZVI. We believe that our conducted research work will open the new avenues for effective removal of heavy metals from the soil. CI - Copyright (c) 2021 Elsevier Ltd. All rights reserved. FAU - Bian, Hao AU - Bian H AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China. FAU - Wan, Jiang AU - Wan J AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China. FAU - Muhammad, Tariq AU - Muhammad T AD - Division of Advanced Nanomaterials, Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences (CAS), Suzhou, 215123, China. FAU - Wang, Gehui AU - Wang G AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China. FAU - Sang, Li AU - Sang L AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China. FAU - Jiang, Lingling AU - Jiang L AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China. FAU - Wang, Huadong AU - Wang H AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China. FAU - Zhang, Yinjie AU - Zhang Y AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China. FAU - Peng, Cheng AU - Peng C AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China; Shanghai Institute of Pollution Control and Ecological Security, Shanghai, 200092, China. FAU - Zhang, Wei AU - Zhang W AD - State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, School of Resource and Environmental Engineering, East China University of Science and Technology, Shanghai, 200237, China; Shanghai Institute of Pollution Control and Ecological Security, Shanghai, 200092, China. Electronic address: wzhang@ecust.edu.cn. FAU - Cao, Xinde AU - Cao X AD - Shanghai Institute of Pollution Control and Ecological Security, Shanghai, 200092, China; School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China. FAU - Lou, Ziyang AU - Lou Z AD - Shanghai Institute of Pollution Control and Ecological Security, Shanghai, 200092, China; School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China. LA - eng PT - Journal Article DEP - 20210214 PL - England TA - Environ Pollut JT - Environmental pollution (Barking, Essex : 1987) JID - 8804476 RN - 0 (Polymers) RN - 0 (Soil) RN - 0 (Water Pollutants, Chemical) RN - 0R0008Q3JB (Chromium) RN - 18540-29-9 (chromium hexavalent ion) RN - E1UOL152H7 (Iron) SB - IM MH - Adsorption MH - Chromium/analysis MH - *Iron MH - Kinetics MH - Polymers MH - Soil MH - *Water Pollutants, Chemical/analysis OTO - NOTNLM OT - Computational kinetics OT - Cr(VI) OT - Modeling predication OT - Nanoscale zero-valent iron OT - Response surface methodology (RSM) COIS- Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. EDAT- 2021/03/01 06:00 MHDA- 2021/04/07 06:00 CRDT- 2021/02/28 20:32 PHST- 2021/01/02 00:00 [received] PHST- 2021/02/09 00:00 [revised] PHST- 2021/02/11 00:00 [accepted] PHST- 2021/03/01 06:00 [pubmed] PHST- 2021/04/07 06:00 [medline] PHST- 2021/02/28 20:32 [entrez] AID - S0269-7491(21)00325-0 [pii] AID - 10.1016/j.envpol.2021.116745 [doi] PST - ppublish SO - Environ Pollut. 2021 May 1;276:116745. doi: 10.1016/j.envpol.2021.116745. Epub 2021 Feb 14.