DOI number:10.1002/asia.202100098
Affiliation of Author(s):中南大学
Journal:Chemistry - An Asian Journal
Key Words:adsorption; Density functional theory; Functional groups; Porous carbons; VOCs
Abstract:To investigate the effects of oxygen-containing functional groups on the adsorption of volatile organic compounds (VOCs) with different polarity, oxygen-rich porous carbon materials (OPCs) were synthesized by heat treatment of glucose/potassium oxalate material. The carbon material had a large specific surface area (1697 m2 g−1) and a high oxygen content (18.95 at.%). OPC exhibited high adsorption capacity of toluene (309 mg g−1) and methanol (447 mg g−1). The specific surface area and total pore volume determined the adsorption capacity of toluene and methanol at the high-pressure range, while the oxygen-containing groups became the main factor affecting the methanol adsorption at the low-pressure range due to the hydrogen bond interaction through the density functional theory (DFT) calculations. This study provides an important hint for developing a novel O-doped adsorbent for the VOCs adsorption applications and analyzing the role of oxygen-containing groups in the VOCs adsorption under the low-pressure range.
Indexed by:Journal paper
Volume:16
Issue:9
Page Number:1118 - 1129
ISSN No.:18614728
Translation or Not:no
Date of Publication:2021-05-03
Included Journals:SCI
Links to published journals:https://aces.onlinelibrary.wiley.com/doi/10.1002/asia.202100098