Confined benzene within InOF-1: Contrasting CO2 and SO2 capture behaviours

Autor:	José G. Ruiz-Montoya, Daniel Alvarado-Alvarado, Ilich A. Ibarra, Rubicelia Vargas, Juan C. Morales, J. Raziel Álvarez, Eduardo González-Zamora, Luz J. Barrios-Vargas, Ludy M. Cáceres, Ana Martínez, Bruno Landeros-Rivera
Jazyk:	angličtina
Rok vydání:	2020
Předmět:	Inorganic Chemistry chemistry.chemical_compound Adsorption Preferential adsorption Chemistry Chemical physics Benceno Molecule Benzene Gases Adsorción
Zdroj:	Repositorio Institucional-Ulima Universidad de Lima
Popis:	The confinement of small amounts of benzene in InOF-1 (Bz@InOF-1) shows a contradictory behavior in the capture of CO2 and SO2. While the capture of CO2 is increased 1.6 times, compared to the pristine material, the capture of SO2 shows a considerable decrease. To elucidate these behaviors, the interactions of CO2 and SO2 with Bz@InOF-1 were studied by DFT periodical calculations postulating a plausible explanation: (a) in the case of benzene and CO2, these molecules do not compete for the preferential adsorption sites within InOF-1, providing a cooperative CO2 capture enhancement and (b) benzene and SO2 strongly compete for these preferential adsorption sites inside the MOF material, reducing the total SO2 capture.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af0ace877571a80339d9922cd8e260af https://hdl.handle.net/20.500.12724/10676 Zobrazit plný text záznamu