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

被引：48
作者：
de Voorde, Ben Van [1 ]
Hezinova, Marketa [2 ]
Lannoeye, Jeroen [1 ]
Vandekerkhove, Annelies [1 ]
Marszalek, Bartosz [3 ]
Gil, Barbara [3 ]
Beurroies, Isabelle [4 ]
Nachtigall, Petr [2 ]
De Vos, Dirk [1 ]
机构：
[1] Katholieke Univ Leuven, Ctr Surface Chem & Catalysis COK, B-3001 Louvain, Belgium
[2] Charles Univ Prague, Fac Sci, Dept Phys & Macromol Chem, Prague 12843, Czech Republic
[3] Jagiellonian Univ, Fac Chem, PL-30060 Krakow, Poland
[4] Univ Aix Marseille, CNRS, Lab Chim Provence, Madirel,MATDIV Grp,UMR 6264,Ctr St Jerome, F-13397 Marseille 20, France
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2015年 / 17卷 / 16期
关键词：
METAL-ORGANIC FRAMEWORKS; COORDINATION POLYMER; SULFUR REMOVAL; DIESEL FUEL; CO2; SEPARATIONS; TEMPERATURE; COMPOUND; BINDING; SITES;
D O I：
10.1039/c5cp01063b
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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.
引用
收藏
页码：10759 / 10766
页数：8
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