Adsorption of CO2, CH4, and N2 on Zeolitic Imidazolate Frameworks: Experiments and Simulations

Pérez‐Pellitero, Javier; Amrouche, Hedi; R. Siperstein, Flor; D. Pirngruber, Gerhard; Nieto‐Draghi, Carlos; Chaplais, Gérald; Simon‐Masseron, Angélique; Bazer-Bachi, Delphine; Peralta, David; Bats, Nicolas

doi:10.1002/chem.200902144

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Adsorption of CO2, CH4, and N2 on Zeolitic Imidazolate Frameworks: Experiments and Simulations

Published in Chemistry - A European Journal • Dec 8, 2009

Authors:

Javier Pérez‐Pellitero

Hedi Amrouche

Flor R. Siperstein

Abstract

Experimental measurements and molecular simulations were conducted for two zeolitic imidazolate frameworks, ZIF-8 and ZIF-76. The transferability of the force field was tested by comparing molecular simulation results of gas adsorption with experimental data available in the literature for other ZIF...

Subject

Zeolitic imidazolate framework

Adsorption

Metal-organic framework

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