Abstract
In this article, the adsorption process of transition metal Fe-doped ZIF-67 material on characteristic gases in oil was investigated based on the first principles. The geometry optimisation model, adsorption parameters, energy band structure, TDOS and PDOS of each adsorption system were analysed and compared. The results showed that Fe-ZIF-67 chemically adsorbed all four characteristic gases in oil. And after doping, the adsorption energy of ZIF-67 material to CO gas can be greatly improved, but the adsorption energy to C2H2 gas is reduced. The adsorption performance ranking is CO > C2H2 > C2H4 > C2H6. This result shows that the addition of Fe enhances the selective absorption of characteristic gases in oil by ZIF-67 materials. The addition of Fe enhances the selective absorption of characteristic gases in oil by the ZIF-67 material. This article offers part of the theoretical evidence for the selective detectability and gas adsorption of characteristic gases in oil by ZIF-67 material.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
