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

Chemical Communications · 2007 · 154 citations · 20 references

Concepts

Abstract

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

References

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