CO2 adsorption isotherms measured between 278 and 313 K and up to 55 bar reveal a maximum uptake of ca.  6.16 mol kg-1 (11.0 mol L-1) and unusual isotherm shapes at the higher temperatures, suggesting framework expansion.  Stepped adsorption isotherms for N2 and O2 at 77 K can be explained by combining Monte Carlo simulations in several different crystal structures of FMOF-1 obtained from neutron and X-ray diffraction under different conditions.  Simulated mixture isotherms of CO2 in the presence of 80% relative humidity predict that water does not influence the CO2 adsorption in FMOF-1, suggesting that hydrophobic MOFs could hold promise for CO2 capture from humid gas streams.
THERM