The characteristic of competitive adsorption of HCHO and C 6 H 6 on activated carbon by molecular simulation

• DOI: 10.1080/10962247.2023.2249204
• Publication Date: 2023-08-23T14:40:39Z
• Authors: Zhiqiang Wang; Zhaoyang Liu; Bo Wang; Jingjing Pei
• Keywords: Carbon fibers

ABSTRACTTo explore the characteristic of competitive adsorption formaldehyde (HCHO) and benzene(C6H6) on activated carbon, slit models carbon with different pore sizes 1 nm, 2 nm 4 were constructed by using Visualizer module Materials Studio molecular simulation software. The single-component C6H6 HCHO at three temperatures 288.15K,293.15K 323.15K conducted method grand canonical Monte Carlo. Experiments carried out to verify accuracy results. For single-compound adsorption, amount varied little temperature conditions, while size had a significant effect C6H6, capability increased as goes up. capacity decreased up, both was less than that size. As for has better when is in small like ability much up or nm.Implications: (1) Understanding equilibrium process level based co-existence multi-component VOCs. (2) effects concentration, humidity factors coupling dynamic competing benzene analyzed. (3) simulations verified an experimental approach Disclosure statementNo potential conflict interest reported author(s).Data availability statementThe authors confirm data supporting findings this study are available within article.Additional informationFundingThe work presented paper supported Natural Science Foundation China through grant [No. 52278121].Notes contributorsZhiqiang WangZhiqiang Wang Associate Professor Tianjin University Commerce his main research interests building ventilation air quality.Zhaoyang LiuZhaoyang Liu master's student Commerce, China, adsorptionand quality control.Bo WangBo VOCs.Jingjing PeiJingjing Pei focus comfort buildings purification pollutants from industrial buildings.