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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.
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Submitted on : Thursday, December 15, 2016 - 3:50:27 PM
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Ben van de Voorde, Markéta Hezinová, Jeroen Lannoeye, Annelies Vandekerkhove, Bartosz Marszalek, et al.. Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation. Physical Chemistry Chemical Physics, 2015, 17 (16), pp.10759 - 10766. ⟨10.1039/c5cp01063b⟩. ⟨hal-01417403⟩



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