Reversible and efficient SO2 capture by a chemically stable MOF CAU-10: experiments and simulations

Reversible and efficient SO2 capture by a chemically stable MOF CAU-10: experiments and simulations

The adsorption of sulphur dioxide (SO2) in CAU-10 is obtained with the use of advanced experimental and computational tools to gain insight into the molecular mechanisms responsible for the adsorption of SO2. It is shown that the adsorption by CAU-10 is highly energy efficient and that van der Waals...

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Veröffentlicht in:Dalton transactions : an international journal of inorganic chemistry 2020-07, Vol.49 (27), p.9203-9207
Hauptverfasser: Zárate, J Antonio, Domínguez-Ojeda, Eduardo, Sánchez-González, Elí, Martínez-Ahumada, Eva, López-Cervantes, Valeria B, Williams, Daryl R, Martis, Vladimir, Ibarra, Ilich A, Alejandre, José
Format: Artikel
Sprache:eng
Schlagworte:
Adsorption
Computer simulation
Heat of adsorption
Software
Sulfur dioxide
X ray powder diffraction
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Beschreibung
Zusammenfassung:The adsorption of sulphur dioxide (SO2) in CAU-10 is obtained with the use of advanced experimental and computational tools to gain insight into the molecular mechanisms responsible for the adsorption of SO2. It is shown that the adsorption by CAU-10 is highly energy efficient and that van der Waals interactions are the driving force that controls adsorption in this system.
ISSN:1477-9226
1477-9234
DOI:10.1039/d0dt01595d