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DOI码：10.1002/asia.202100098
所属单位：中南大学
发表刊物：Chemistry - An Asian Journal
关键字：adsorption; Density functional theory; Functional groups; Porous carbons; VOCs
摘要：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.
论文类型：期刊论文
卷号：16
期号：9
页面范围：1118 - 1129
ISSN号：18614728
是否译文：否
收录刊物：SCI
发布期刊链接：https://aces.onlinelibrary.wiley.com/doi/10.1002/asia.202100098
