Effect of nitrogen-doped activated carbon on formaldehyde adsorption behaviour in different scale pores

IF 6.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Applied Surface Science Pub Date : 2024-07-07 DOI:10.1016/j.apsusc.2024.160686

Yiyang Jiao , Zhonghua Wang , Haiqian Zhao , Erlin Meng , Zekun Sun , Lei Yang , Mingqi He , Jiuyang Jia , Kaibo An , Xinxin Pi , Sifan Shao , Jingen Zhou

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Abstract

The pore size range of activated carbon has an important effect on formaldehyde adsorption, while nitrogen-doped can promote formaldehyde adsorption, but the mechanism of nitrogen-doped on formaldehyde adsorption at different pore size range has not been elaborated clearly. Therefore, this paper investigates the effect of range on formaldehyde adsorption at different pore size scales. Through simulation, it is concluded that nitrogen-doped does not broaden the optimal pore size for formaldehyde adsorption and the optimal pore size is still 6 Å, but nitrogen-doped can improve the non-bonding interactions between formaldehyde molecules and activated carbon by changing the electrostatic distribution on the surface of activated carbon, which enhances the adsorption of formaldehyde molecules. In addition, the non-bonding interaction between formaldehyde molecules and activated carbon decreases with increasing pore size, whereas nitrogen-doped enhances the non-bonding interaction between formaldehyde molecules and activated carbon, and therefore nitrogen-doped improves the limiting pore size of activated carbon for formaldehyde adsorption.

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掺氮活性炭对不同尺度孔隙中甲醛吸附行为的影响

活性炭的孔径范围对甲醛吸附有重要影响，而掺氮能促进甲醛吸附，但不同孔径范围掺氮对甲醛吸附的机理尚未得到明确阐述。因此，本文研究了不同孔径范围对甲醛吸附的影响。通过模拟得出，掺氮并不能拓宽甲醛吸附的最佳孔径，最佳孔径仍为 6 Å，但掺氮可以通过改变活性炭表面的静电分布，改善甲醛分子与活性炭之间的非键相互作用，从而增强甲醛分子的吸附。此外，甲醛分子与活性炭之间的非键相互作用随孔径增大而减弱，而掺氮则能增强甲醛分子与活性炭之间的非键相互作用，因此掺氮能改善活性炭吸附甲醛的极限孔径。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Applied Surface Science 工程技术-材料科学：膜

CiteScore

12.50

自引率

7.50%

发文量

3393

审稿时长

67 days

期刊介绍： Applied Surface Science covers topics contributing to a better understanding of surfaces, interfaces, nanostructures and their applications. The journal is concerned with scientific research on the atomic and molecular level of material properties determined with specific surface analytical techniques and/or computational methods, as well as the processing of such structures.