Issue 16, 2015

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
20 feb 2015
Accepted
17 mar 2015
First published
20 mar 2015

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

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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