DOI number:10.1016/j.apsusc.2021.150550
Affiliation of Author(s):中南大学
Journal:Applied Surface Science
Key Words:Adsorption; Cork; DFT; GCMC; Porous carbon; VOCs
Abstract:It can be said that most of the garbage were misplaced resources. And how to turn these resources into valuable products is extremely important. In this study, the cork wine stoppers were recovered and prepared into VOCs adsorption materials through ammonia activation. The prepared cork biomass carbon had abundant micropores and mesopores and rich N-containing functional groups, especially amino groups (3.6%). The obtained sample NC900 exhibited a good performance for the adsorption of acetone (1221 mg g−1 at 18 kPa), benzene (840 mg g−1 at 10 kPa) and toluene (720 mg g−1 at 3 kPa) at 25 °C. The adsorption effect of hierarchical porous carbon on VOCs under different pressures were calculated and analyzed through GCMC. Multilayer adsorption promoted the adsorption of VOCs molecules in mesopores under the high pressure. The promotion effects of nitrogen-containing functional groups (amino, pyrrolic, pyridine) based on adsorption energy calculations were evaluated via DFT. The amino functional groups obtained the strongest affinity for acetone (-0.64 eV), benzene (-0.66 eV) and toluene (-0.72 eV). This study achieved a guiding significance for the preparation of cork biomass carbon and its application in the VOCs adsorption.
Indexed by:Journal paper
Document Code:150550
Volume:565
ISSN No.:01694332
Translation or Not:no
Date of Publication:2021-11-01
Included Journals:SCI
Links to published journals:https://www.sciencedirect.com/science/article/pii/S0169433221016202?via%3Dihub