Issue 16, 2015
From the journal:

Physical Chemistry Chemical Physics

Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation†

Ben Van de Voorde,a   Markéta Hezinová,b   Jeroen Lannoeye,a   Annelies Vandekerkhove,a   Bartosz Marszalek,c   Barbara Gil,c   Isabelle Beurroies,d   Petr Nachtigallb  and  Dirk De Vos*a  

* Corresponding authors

a Centre for Surface Chemistry and Catalysis (COK), KU Leuven, Arenbergpark 23, B-3001 Leuven, Belgium
E-mail: dirk.devos@biw.kuleuven.be

b Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 128 43 Prague, Czech Republic

c Faculty of Chemistry, Jagiellonian University, ul. Ingardena 3, 30-060 Kraków, Poland

d CNRS, Lab. Chimie Provence, Madirel, Université Aix-Marseille, 1-3, UMR 6264, MATDIV Grp, Ctr St Jerôme, F-13397 Marseille 20, France

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.

Graphical abstract: Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation

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Article information

DOI
https://doi.org/10.1039/C5CP01063B
Article type
Paper
Submitted
20 Feb 2015
Accepted
17 Mar 2015
First published
20 Mar 2015

Phys. Chem. Chem. Phys., 2015,17, 10759-10766

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Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation

B. Van de Voorde, M. Hezinová, J. Lannoeye, A. Vandekerkhove, B. Marszalek, B. Gil, I. Beurroies, P. Nachtigall and D. De Vos, Phys. Chem. Chem. Phys., 2015, 17, 10759 DOI: 10.1039/C5CP01063B

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