Citation: Chuanbin Wang, Lingchao Kong, Yanshan Wang, Xiaoqiang Cui, Ning Li, Beibei Yan, Guanyi Chen. New insight into the synergy of nitrogen-related sites on biochar surface for sulfamethoxazole adsorption from water[J]. Chinese Chemical Letters, ;2023, 34(9): 108159. doi: 10.1016/j.cclet.2023.108159 shu

New insight into the synergy of nitrogen-related sites on biochar surface for sulfamethoxazole adsorption from water

Chuanbin Wang ^a ,
Lingchao Kong ^b ,
Yanshan Wang ^a ,
Xiaoqiang Cui ^a ,
Ning Li ^{a, c, *,} ,
Beibei Yan ^a ,
Guanyi Chen ^{a, d, e}

a.
School of Environmental Science and Engineering/Tianjin Engineering Research Center of Bio Gas/Oil Technology, Tianjin University, Tianjin 300072, China
b.
School of Environmental Science & Engineering, Southern University of Science and Technology, Shenzhen 518055, China
c.
Georgia Tech Shenzhen Institute, Tianjin University, Shenzhen 518071, China
d.
School of Mechanical Engineering, Tianjin University of Commerce, Tianjin 300134, China
e.
School of Science, Tibet University, Lhasa 850012, China

liningec@tju.edu.cn

Received Date: 19 October 2022
Revised Date: 1 January 2023
Accepted Date: 25 January 2023
Available Online: 28 January 2023

Figures(4)

In-depth exploration of the relationship among different adsorption sites is conducive to design of efficient adsorbents for target pollutants removal from water. In this study, the experiments, multivariate non-linear regression and density functional theory calculations are applied to explore the possible synergistic effects of three nitrogen (N)-containing sites on cow dung biochar surface for sulfamethoxazole (SMX) adsorption. Notably, a strong synergistic effect between pyridinic N and pyrrolic N sites was found for sulfamethoxazole adsorption. The adsorption energies of SMX on four pyrrolic N-coupled pyridinic N structures were −1.02, −0.41, −0.49 and −0.72 eV, much higher than the sum of adsorption energies (−0.31 eV) on pyrrolic N and pyridinic N. Besides, the alteration of Mulliken charge revealed that the simultaneous presence of pyridinic N and pyrrolic N improved the electron transfer remarkably from −0.459 e and 0.094 e to −0.649 e and 0.186 e, benefiting for SMX adsorption. This work firstly explored the possible synergies of adsorption sites on biochar surface for organic contaminants removal from water, which shed new lights on the adsorption mechanism and provided valuable information to design efficient adsorbents in the field of water treatment.
- Synergy,
- Pyrrolic N,
- Pyridinic N,
- Biochar,
- Adsorption
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1.
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