Abstract
The quantum chemical method is used throughout the process to calculate the changes in adsorption energy, structure and atomic charge, so as to understand the adsorption mechanism and to find suitable nano-adsorbents. The results show that covalent organic framework (COF) has higher electron acceptability than β-cyclodextrin (BCD), so it has a higher adsorption energy. Regardless of COF or BCD, after adding acidic medium and catalyst, both of them have higher adsorption energy, since the cation bridge plays a crucial role in the stabilization of nanosystems. Among them, the COF-Al3+ system showed the best removal efficiency.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
