PMID- 35429562
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20220602
IS  - 1879-1026 (Electronic)
IS  - 0048-9697 (Linking)
VI  - 833
DP  - 2022 Aug 10
TI  - Adsorption behavior and surface complexation modeling of oxygen anion Sb(V) 
      adsorption on goethite.
PG  - 155284
LID - S0048-9697(22)02377-4 [pii]
LID - 10.1016/j.scitotenv.2022.155284 [doi]
AB  - Simulating the adsorption behavior of Sb(V) on goethite is of great significance 
      for predicting the mobility of Sb(V) in soil. However, there is still a lack of 
      charge distribution and multisite surface complexation (CD-MUSIC) models that 
      conform to the actual adsorption mechanism. Therefore, our research combined the 
      previous EXAFS results with the SCMs and established two CD-MUSIC models (Model 
      I, which introduced bidentate binuclear and bidentate mononuclear complexes, and 
      Model II, which introduced bidentate mononuclear and monodentate mononuclear 
      complexes). It is also one of the rare cases that bidentate edge- and 
      corner-sharing adsorption complexes have been distinguished by introducing 
      different amounts of H(+). The results showed that Model I was more suitable for 
      predicting the adsorption behavior of Sb(V) on the goethite surface than Model 
      II. However, at low pH and high Sb(V) loading, the presence of the monodentate 
      complex  identical withFeOHSb(OH)(5)(0.5-) was possible due to the fast and slow two-step 
      mechanism. Using the optimized CD-MUSIC model parameters, the contribution of 
      surface species to the equilibrium adsorption under different conditions was 
      determined. In the adsorption edge and adsorption isotherm simulation process, 
      the edge-sharing bidentate mononuclear complex  identical with(FeO)(2)H(2)Sb(OH)(4) was always 
      the most important product, which was consistent with the results of extended 
      X-ray absorption fine structure (EXAFS) analysis. The applicability of the model 
      parameters was verified by predicting the competitive adsorption between 
      PO(4)(3-) and Sb(V). The CD-MUSIC model established in the present study could be 
      a useful tool for evaluating the equilibrium distribution behavior and 
      environmental risk of Sb(V) in different types of soils.
CI  - Copyright (c) 2022 Elsevier B.V. All rights reserved.
FAU - Song, Kaiyue
AU  - Song K
AD  - State Key Laboratory of Water Environment Simulation, School of Environment, 
      Beijing Normal University, No. 19 Xinjiekouwai Street, Beijing 100875, China.
FAU - Zhang, Chengjun
AU  - Zhang C
AD  - State Key Laboratory of Water Environment Simulation, School of Environment, 
      Beijing Normal University, No. 19 Xinjiekouwai Street, Beijing 100875, China.
FAU - Shan, Jun
AU  - Shan J
AD  - State Key Laboratory of Water Environment Simulation, School of Environment, 
      Beijing Normal University, No. 19 Xinjiekouwai Street, Beijing 100875, China.
FAU - Wang, Wenting
AU  - Wang W
AD  - State Key Laboratory of Water Environment Simulation, School of Environment, 
      Beijing Normal University, No. 19 Xinjiekouwai Street, Beijing 100875, China.
FAU - Liu, Huiji
AU  - Liu H
AD  - State Key Laboratory of Water Environment Simulation, School of Environment, 
      Beijing Normal University, No. 19 Xinjiekouwai Street, Beijing 100875, China.
FAU - He, Mengchang
AU  - He M
AD  - State Key Laboratory of Water Environment Simulation, School of Environment, 
      Beijing Normal University, No. 19 Xinjiekouwai Street, Beijing 100875, China. 
      Electronic address: hemc@bnu.edu.cn.
LA  - eng
PT  - Journal Article
DEP - 20220413
PL  - Netherlands
TA  - Sci Total Environ
JT  - The Science of the total environment
JID - 0330500
SB  - IM
OTO - NOTNLM
OT  - CD-MUSIC model
OT  - Edge- and corner-sharing complexes
OT  - Goethite
OT  - Sb(V)
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- 2022/04/17 06:00
MHDA- 2022/04/17 06:01
CRDT- 2022/04/16 20:09
PHST- 2022/02/02 00:00 [received]
PHST- 2022/04/10 00:00 [revised]
PHST- 2022/04/10 00:00 [accepted]
PHST- 2022/04/17 06:00 [pubmed]
PHST- 2022/04/17 06:01 [medline]
PHST- 2022/04/16 20:09 [entrez]
AID - S0048-9697(22)02377-4 [pii]
AID - 10.1016/j.scitotenv.2022.155284 [doi]
PST - ppublish
SO  - Sci Total Environ. 2022 Aug 10;833:155284. doi: 10.1016/j.scitotenv.2022.155284. 
      Epub 2022 Apr 13.