Mathematical modeling of the process of interaction of sulfur dioxide with pyrolyzed polyacrylonitrile

Autor:	Igor Kakorin, O. A. Kakorina, Irina Zaporotskova
Rok vydání:	2021
Předmět:	History chemistry.chemical_compound Materials science chemistry Chemical engineering Scientific method Polyacrylonitrile Pyrolysis Sulfur dioxide Computer Science Applications Education
Zdroj:	Journal of Physics: Conference Series. 1745:012092
ISSN:	1742-6596 1742-6588
Popis:	The paper presents a study of the interaction of sulfur dioxide with a polymer-pyrolyzed polyacrylonitrile (PPAN). The possibility of using PPAN as an element of an electronic sensor device for recording the presence and identification of sulfur dioxide in the atmosphere is shown. The results of the established geometric and electron-energy characteristics of the polymer interacting with gas are described. Theoretical calculations were performed using the molecular cluster model and the quantum-chemical MNDO method.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2fcb142b6737b700b813f18a310cc333 https://doi.org/10.1088/1742-6596/1745/1/012092 Zobrazit plný text záznamu