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

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 inte...

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Published in:Dalton transactions : an international journal of inorganic chemistry 2020-03, Vol.49 (9), p.2786-2793
Main Authors: Barrios-Vargas, Luz J, Ruiz-Montoya, José G, Landeros-Rivera, Bruno, Álvarez, J Raziel, Alvarado-Alvarado, Daniel, Vargas, Rubicelia, Martínez, Ana, González-Zamora, Eduardo, Cáceres, Ludy M, Morales, Juan C, Ibarra, Ilich A
Format: Article
Language:English
Subjects:
Adsorption
Benzene
Carbon dioxide
Carbon sequestration
Enthalpy
Hydrocarbons
Mathematical analysis
Sulfur dioxide recovery
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Summary: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.
ISSN:1477-9226
1477-9234
DOI:10.1039/c9dt04667d