title: Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation.
abstract: By combining experimental adsorption isotherms, microcalorimetric data, infrared spectroscopy and quantum chemical calculations the adsorption behaviour of the CPO-27/MOF-74 series (Ni, Co, Mg, Cu, and Zn) in the desulfurization of fuels is evaluated. The results show a clear influence of the metal ion on the adsorption capacity and affinity for S-heterocyclic compounds, with CPO-27(Ni) being the best performing material both in terms of capacity and affinity. The microcalorimetric data and infrared spectroscopy confirm the high affinity of CPO-27(Ni) for thiophene and similar compounds, while the computational data reveal that the origin of this outstanding adsorption performance is the strong sulfur-metal interaction.
authors: Centre for Surface Chemistry and Catalysis (COK), KU Leuven, Arenbergpark 23, B-3001 Leuven, Belgium. dirk.devos@biw.kuleuven.be.
authors: Ben
authors: B
authors: Van de Voorde
authors: Markéta
authors: M
authors: Hezinová
authors: Jeroen
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authors: Lannoeye
authors: Annelies
authors: A
authors: Vandekerkhove
authors: Bartosz
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authors: Marszalek
authors: Barbara
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authors: Gil
authors: Isabelle
authors: I
authors: Beurroies
authors: Petr
authors: P
authors: Nachtigall
authors: Dirk
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authors: De Vos