Issue 34, 2011
From the journal:

Chemical Communications

Functionalizing porous zirconium terephthalate UiO-66(Zr) for natural gas upgrading: a computational exploration†

Qingyuan Yang,ab   Andrew D. Wiersum,c   Philip L. Llewellyn,c   Vincent Guillerm,d   Christian Serred  and  Guillaume Maurin*b  

* Corresponding authors

a Department of chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China

b Institut Charles Gerhardt Montpellier, UMR CNRS 5253, UM2, ENSCM, Place E. Bataillon, 34095 Montpellier cedex 05, France
E-mail: guillaume.maurin@univ-montp2.fr

c Laboratoire Chimie Provence, Universités Aix-Marseille I, II et III - CNRS, UMR 6264, Centre de Saint Jérôme, 13397 Marseille, France

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

Abstract

The ligand functionalization effect on the CO2/CH4 separation performance of the MOF type UiO-66(Zr) was explored computationally. The –SO3H and –CO2H functionalized forms show the highest selectivity, good working capacity and medium ranged CO2 adsorption enthalpy that make these materials very promising for physisorption-based processes.

Graphical abstract: Functionalizing porous zirconium terephthalate UiO-66(Zr) for natural gas upgrading: a computational exploration

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Article information

DOI
https://doi.org/10.1039/C1CC13543K
Article type
Communication
Submitted
15 Jun 2011
Accepted
11 Jul 2011
First published
29 Jul 2011

Chem. Commun., 2011,47, 9603-9605

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Functionalizing porous zirconium terephthalate UiO-66(Zr) for natural gas upgrading: a computational exploration

Q. Yang, A. D. Wiersum, P. L. Llewellyn, V. Guillerm, C. Serre and G. Maurin, Chem. Commun., 2011, 47, 9603 DOI: 10.1039/C1CC13543K

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