On the breathing effect of a metal-organic framework upon CO(2) adsorption: Monte Carlo compared to microcalorimetry experiments.
Grand Canonical Monte Carlo simulations have explained the breathing of a metal-organic framework upon CO(2) adsorption, first suggested by microcalorimetry.
Ramsahye
Naseem A
NA
Institut C. Gerhardt, UMR 5253 CNRS UM2, ENSCM, Université Montpellier II, 34095 Montpellier cedex 05, France.
Maurin
Guillaume
G
Bourrelly
Sandrine
S
Llewellyn
Philip L
PL
Loiseau
Thierry
T
Serre
Christian
C
Férey
Gérard
G