Issue 6, 2014
From the journal:

Journal of Materials Chemistry A

Computational exploration of a Zr-carboxylate based metal–organic framework as a membrane material for CO2 capture†

Dong Wu,ab   Guillaume Maurin,*b   Qingyuan Yang,a   Christian Serre,c   Hervé Jobicd  and  Chongli Zhong*a  

* Corresponding authors

a State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, China
E-mail: zhongcl@mail.buct.edu.cn

b Institut Charles Gerhardt Montpellier, Université Montpellier 2, 34095 Montpellier cedex 05, France
E-mail: guillaume.maurin@univ-montp2.fr

c Institut Lavoisier, UMR CNRS 8180-Université de Versailles St Quentin en Yvelines, 45 avenue des Etats-Unis, 78035 Versailles, France

d Institut de Recherches sur la Catalyse et l'Environnement de Lyon, Université de Lyon 1, CNRS, 2. Av. A. Einstein, 69626 Villeurbanne, France

Abstract

A porous Zr-carboxylate based MOF functionalized with two free carboxylic groups on the terephthalate linkers was computationally explored for its membrane-based CO2 capture performances. This material in a pure or in a composite membrane was predicted to outperform Robeson's upper bound for two strategic gas mixtures (CO2/CH4 and CO2/N2).

Graphical abstract: Computational exploration of a Zr-carboxylate based metal–organic framework as a membrane material for CO2 capture

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Article information

DOI
https://doi.org/10.1039/C3TA13651E
Article type
Communication
Submitted
11 Sep 2013
Accepted
26 Nov 2013
First published
28 Nov 2013

J. Mater. Chem. A, 2014,2, 1657-1661

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Computational exploration of a Zr-carboxylate based metal–organic framework as a membrane material for CO2 capture

D. Wu, G. Maurin, Q. Yang, C. Serre, H. Jobic and C. Zhong, J. Mater. Chem. A, 2014, 2, 1657 DOI: 10.1039/C3TA13651E

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