Abstract
The results of a theoretical study of the gas-sensitive properties of polyacrylonitrile (PAN) modified with cobalt compounds by using the methods of molecular modeling and quantum chemistry are presented. A surface cluster of cobalt-containing PAN formed by infrared heat treatment is simulated. The most stable configuration of the cluster has been determined, in which molecules of cobalt oxide and cobalt metahydroxide are located between two layers of PAN macromolecules without interacting with each other and with PAN molecules. This explains a composite structure of cobalt-containing PAN films. Molecular modeling demonstrated that the cobalt-modified PAN cluster is selectively sensitive to the molecules of chlorine, nitrogen dioxide, and carbon monoxide.
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.
