Effect of pH-Dependent Homo/Heteronuclear CAHB on Adsorption and Desorption Behaviors of Ionizable Organic Compounds on Carbonaceous Materials
Abstract
:1. Introduction
2. Materials and Methods
2.1. Adsorbents, Chemicals, and Characterization
2.2. Bath Adsorption and Desorption Experiments at Different pHs
2.3. Data Analysis
2.4. DFT Computational Details
3. Results and Discussion
3.1. Characterization of CNTs
3.2. Adsorption Kinetics of BA and PA on CNTs
3.3. Adsorption Isotherms of BA and PA on CNTs-Effect of pH
3.4. Desorption of BA and PA on CNTs at Different PHs
3.5. XPS, FTIR, and DFT Analysis of Homonuclear/Heteronuclear CAHB
4. Conclusions and Environmental Significance
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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- Effect of pH-Dependent Homo/Heteronuclear CAHB on Adsorption and Desorption Behaviors of Ionizable Organic Compounds on Carbonaceous Materials. Available online: https://chemicalize.com/ (accessed on 23 August 2022).
Adsorption Configurations | Eads (kJ·mol−1) | Bond Length (Å) | Bond Angle (°) |
---|---|---|---|
O-CNTsOH···BA− | −78.96 | 2.502 | 178.814 |
O-CNTsCOOH···BA− | −82.33 | 2.496 | 178.994 |
N-CNTs···BA− | −47.97 | 2.714 | 177.592 |
O-CNTsOH···PA2− | −81.49 | 2.518 | 179.125 |
O-CNTsCOOH···PA2− | −88.12 | 2.507 | 179.242 |
N-CNTs···PA2− | −51.66 | 2.683 | 177.157 |
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Li, X.; Zhang, J.; Jin, Y.; Liu, Y.; Li, N.; Wang, Y.; Du, C.; Xue, Z.; Zhang, N.; Chen, Q. Effect of pH-Dependent Homo/Heteronuclear CAHB on Adsorption and Desorption Behaviors of Ionizable Organic Compounds on Carbonaceous Materials. Int. J. Environ. Res. Public Health 2022, 19, 12118. https://doi.org/10.3390/ijerph191912118
Li X, Zhang J, Jin Y, Liu Y, Li N, Wang Y, Du C, Xue Z, Zhang N, Chen Q. Effect of pH-Dependent Homo/Heteronuclear CAHB on Adsorption and Desorption Behaviors of Ionizable Organic Compounds on Carbonaceous Materials. International Journal of Environmental Research and Public Health. 2022; 19(19):12118. https://doi.org/10.3390/ijerph191912118
Chicago/Turabian StyleLi, Xiaoyun, Jinlong Zhang, Yaofeng Jin, Yifan Liu, Nana Li, Yue Wang, Cong Du, Zhijing Xue, Nan Zhang, and Qin Chen. 2022. "Effect of pH-Dependent Homo/Heteronuclear CAHB on Adsorption and Desorption Behaviors of Ionizable Organic Compounds on Carbonaceous Materials" International Journal of Environmental Research and Public Health 19, no. 19: 12118. https://doi.org/10.3390/ijerph191912118