Understanding the anomalous alkane selectivity of ZIF-7 in the separation of light alkane/alkene mixtures

Johan Van Den Bergh; Canan Gücüyener; Evgeny A. Pidko; Emiel J.M. Hensen; Jorge Gascon; Freek Kapteijn

doi:10.1002/chem.201100958

Understanding the anomalous alkane selectivity of ZIF-7 in the separation of light alkane/alkene mixtures

Johan Van Den Bergh, Canan Gücüyener, Evgeny A. Pidko, Emiel J.M. Hensen, Jorge Gascon^*, Freek Kapteijn

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

272 Scopus citations

Abstract

C2 and C3 alkanes are selectively adsorbed from mixtures over the corresponding alkenes on the zeolite imidazolate framework ZIF-7 through a gate-opening mechanism. As a result, the direct production of the pure alkene upon adsorption and the pure alkane upon desorption in packed columns is possible. Herein, a detailed investigation of the step-wise adsorption and separation of alkanes and alkenes is presented, together with a rigorous performance assessment. A molecular picture of the gate-opening mechanism underlying the unprecedented selectivity towards alkane adsorption is proposed based on DFT calculations and a thermodynamic analysis of the adsorption-desorption isotherms.

Original language	English (US)
Pages (from-to)	8832-8840
Number of pages	9
Journal	Chemistry - A European Journal
Volume	17
Issue number	32
DOIs	https://doi.org/10.1002/chem.201100958
State	Published - Aug 1 2011
Externally published	Yes

Keywords

ZIF-7
alkanes
alkenes
metal-organic frameworks
separation

ASJC Scopus subject areas

Catalysis
Organic Chemistry

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10.1002/chem.201100958

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title = "Understanding the anomalous alkane selectivity of ZIF-7 in the separation of light alkane/alkene mixtures",

abstract = "C2 and C3 alkanes are selectively adsorbed from mixtures over the corresponding alkenes on the zeolite imidazolate framework ZIF-7 through a gate-opening mechanism. As a result, the direct production of the pure alkene upon adsorption and the pure alkane upon desorption in packed columns is possible. Herein, a detailed investigation of the step-wise adsorption and separation of alkanes and alkenes is presented, together with a rigorous performance assessment. A molecular picture of the gate-opening mechanism underlying the unprecedented selectivity towards alkane adsorption is proposed based on DFT calculations and a thermodynamic analysis of the adsorption-desorption isotherms.",

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T1 - Understanding the anomalous alkane selectivity of ZIF-7 in the separation of light alkane/alkene mixtures

AU - Van Den Bergh, Johan

AU - Gücüyener, Canan

AU - Pidko, Evgeny A.

AU - Hensen, Emiel J.M.

AU - Gascon, Jorge

AU - Kapteijn, Freek

PY - 2011/8/1

Y1 - 2011/8/1

N2 - C2 and C3 alkanes are selectively adsorbed from mixtures over the corresponding alkenes on the zeolite imidazolate framework ZIF-7 through a gate-opening mechanism. As a result, the direct production of the pure alkene upon adsorption and the pure alkane upon desorption in packed columns is possible. Herein, a detailed investigation of the step-wise adsorption and separation of alkanes and alkenes is presented, together with a rigorous performance assessment. A molecular picture of the gate-opening mechanism underlying the unprecedented selectivity towards alkane adsorption is proposed based on DFT calculations and a thermodynamic analysis of the adsorption-desorption isotherms.

AB - C2 and C3 alkanes are selectively adsorbed from mixtures over the corresponding alkenes on the zeolite imidazolate framework ZIF-7 through a gate-opening mechanism. As a result, the direct production of the pure alkene upon adsorption and the pure alkane upon desorption in packed columns is possible. Herein, a detailed investigation of the step-wise adsorption and separation of alkanes and alkenes is presented, together with a rigorous performance assessment. A molecular picture of the gate-opening mechanism underlying the unprecedented selectivity towards alkane adsorption is proposed based on DFT calculations and a thermodynamic analysis of the adsorption-desorption isotherms.

KW - ZIF-7

KW - alkanes

KW - alkenes

KW - metal-organic frameworks

KW - separation

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DO - 10.1002/chem.201100958

M3 - Article

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JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

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Understanding the anomalous alkane selectivity of ZIF-7 in the separation of light alkane/alkene mixtures

Abstract

Keywords

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