A theoretical study of noxious gases storage using covalent organic frameworks (COFs)

Liang Xia, Yingjian Yang, Yue Chan

Research output: Journal PublicationConference articlepeer-review

1 Downloads (Pure)

Abstract

Using covalent organic frameworks (COFs) to capture noxious gas has become an increasing research interest, especially for the purpose of environmental protection. A theoretical study on the interactions of carbon monoxide (CO), sulfur dioxide (SO2) and nitric oxide (NO), respectively with COF-300 has been proposed, based on the theory of the continuum approximation using Lennard-Jones potential. We discover that COF-300 can store more SO2 in comparison to CO and NO under an increasing pressure at 77K. The present methodology is computationally efficient and can be employed in other types of gases and nano-porous materials without conceptual difficulties.

Original languageEnglish
Article number012025
JournalJournal of Physics: Conference Series
Volume1592
Issue number1
DOIs
Publication statusPublished - 18 Sep 2020
Event3rd International Conference on Physics, Mathematics and Statistics, ICPMS 2020 - Kunming, China
Duration: 20 May 202022 May 2020

ASJC Scopus subject areas

  • Physics and Astronomy (all)

Fingerprint

Dive into the research topics of 'A theoretical study of noxious gases storage using covalent organic frameworks (COFs)'. Together they form a unique fingerprint.

Cite this