On the breathing effect of a metal–organic framework upon CO2 adsorption: Monte Carlo compared to microcalorimetry experiments

Naseem A. Ramsahye; Guillaume Maurin; Sandrine Bourrelly; Philip L. Llewellyn; Thierry Loiseau; Christian Serre; Gérard Férey

doi:10.1039/B702986A

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On the breathing effect of a metal–organic framework upon CO₂adsorption: Monte Carlo compared to microcalorimetry experiments†

Naseem A. Ramsahye,^a Guillaume Maurin,*^a Sandrine Bourrelly,^b Philip L. Llewellyn,^b Thierry Loiseau,^c Christian Serre^c and Gérard Férey^c

Author affiliations

* Corresponding authors

^a Institut C. Gerhardt, UMR 5253 CNRS UM2, ENSCM, Université Montpellier II, 34095 Montpellier cedex 05, France
E-mail: gmaurin@lpmc.univ-montp2.fr
Fax: +3304067014042090

^b Laboratoire MADIREL, UMR CNRS 6121, Université de Provence, 13397 Marseille cedex 20, France

^c Institut Lavoisier, UMR CNRS 8637, Université de Versailles Saint-Quentin-en-Yvelines, 78035 Versailles Cedex, France

Abstract

Grand Canonical Monte Carlo simulations have explained the breathing of a metal–organic framework upon CO₂ adsorption, first suggested by microcalorimetry.

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Supplementary files

Details of charge distribution, interatomic potential parameters and Grand Canonical Monte Carlo simulations PDF (260K)

Article information

DOI: https://doi.org/10.1039/B702986A
Article type: Communication
Submitted: 27 Feb 2007
Accepted: 10 May 2007
First published: 01 Jun 2007

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Chem. Commun., 2007, 3261-3263

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On the breathing effect of a metal–organic framework upon CO₂ adsorption: Monte Carlo compared to microcalorimetry experiments

N. A. Ramsahye, G. Maurin, S. Bourrelly, P. L. Llewellyn, T. Loiseau, C. Serre and G. Férey, Chem. Commun., 2007, 3261 DOI: 10.1039/B702986A

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