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

页码：10759 / 10766

页数：8

共 44 条

[41]

Werner H.-J., 2012, M IS PACKAGE AB INIT

[42] Commensurate Adsorption of Hydrocarbons and Alcohols in Microporous Metal Organic Frameworks [J].

Wu, Haohan ;

Gong, Qihan ;

Olson, David H. ;

Li, Jing .

CHEMICAL REVIEWS, 2012, 112 (02) :836-868

[43] Adsorption Sites and Binding Nature of CO2 in Prototypical Metal-Organic Frameworks: A Combined Neutron Diffraction and First-Principles Study [J].

Wu, Hui ;

Simmons, Jason M. ;

Srinivas, Gadipelli ;

Zhou, Wei ;

Yildirim, Taner .

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2010, 1 (13) :1946-1951

[44]

Yang R. T., 2007, ADSORBENTS FUNDAMENT

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