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Issue 19, 2016
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Nanoporous chalcogenides for adsorption and gas separation

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Abstract

The adsorption and gas separation properties of amorphous porous chalcogenides such as GeS2 are investigated using statistical mechanics molecular simulation. Using a realistic molecular model of such amorphous adsorbents, we show that they can be used efficiently to separate different gases relevant to environmental and energy applications (H2, CO2, CH4, N2). In addition to shedding light on the microscopic adsorption mechanisms, we show that coadsorption in this novel class of porous materials can be described using the ideal adsorbed solution theory (IAST). Such a simple thermodynamic model, which allows avoiding complex coadsorption measurements, describes the adsorption of mixture from pure component adsorption isotherms. Our results, which are found to be in good agreement with available experimental data, paves the way for the design of gas separation membranes using the large family of porous chalcogenides.

Graphical abstract: Nanoporous chalcogenides for adsorption and gas separation

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Article information


Submitted
21 Jan 2016
Accepted
18 Apr 2016
First published
18 Apr 2016

Phys. Chem. Chem. Phys., 2016,18, 13449-13458
Article type
Paper

Nanoporous chalcogenides for adsorption and gas separation

G. Ori, C. Massobrio, A. Pradel, M. Ribes and B. Coasne, Phys. Chem. Chem. Phys., 2016, 18, 13449
DOI: 10.1039/C6CP00467A

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