Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation.
نویسندگان
چکیده
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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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 17 16 شماره
صفحات -
تاریخ انتشار 2015