Adsorptive desulfurization with CPO-27/MOF-74: an experimental and computational investigation.
- Authors
- Type
- Published Article
- Journal
- Physical Chemistry Chemical Physics
- Publisher
- The Royal Society of Chemistry
- Publication Date
- Apr 28, 2015
- Volume
- 17
- Issue
- 16
- Pages
- 10759–10766
- Identifiers
- DOI: 10.1039/c5cp01063b
- PMID: 25811930
- Source
- Medline
- License
- Unknown
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.
