Issue 34, 2011

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

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

Supplementary files

Article information

Article type
Communication
Submitted
15 Jun 2011
Accepted
11 Jul 2011
First published
29 Jul 2011

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

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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