On the breathing effect of a metal-organic framework upon CO(2) 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

On the breathing effect of a metal-organic framework upon CO(2) adsorption: Monte Carlo compared to microcalorimetry experiments

Chem Commun (Camb). 2007 Aug 21:(31):3261-3. doi: 10.1039/b702986a. Epub 2007 Jun 1.

Authors

Naseem A Ramsahye¹, Guillaume Maurin, Sandrine Bourrelly, Philip L Llewellyn, Thierry Loiseau, Christian Serre, Gérard Férey

Affiliation

¹ Institut C. Gerhardt, UMR 5253 CNRS UM2, ENSCM, Université Montpellier II, 34095 Montpellier cedex 05, France.

PMID: 17668094
DOI: 10.1039/b702986a

Abstract

Grand Canonical Monte Carlo simulations have explained the breathing of a metal-organic framework upon CO(2) adsorption, first suggested by microcalorimetry.