Jump to main content
Jump to site search

Issue 23, 2013
Previous Article Next Article

Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology

Author affiliations

Abstract

The adsorption of noble gases and nitrogen by sixteen metal–organic frameworks (MOFs) was investigated using grand canonical Monte Carlo simulation. The MOFs were chosen to represent a variety of net topologies, pore dimensions, and metal centers. Three commercially available MOFs (HKUST-1, AlMIL-53, and ZIF-8) and PCN-14 were also included for comparison. Experimental adsorption isotherms, obtained from volumetric and gravimetric methods, were used to compare krypton, argon, and nitrogen uptake with the simulation results. Simulated trends in gas adsorption and predicted selectivities among the commercially available MOFs are in good agreement with experiment. In the low pressure regime, the expected trend of increasing adsorption with increasing noble gas polarizabilty is seen. For each noble gas, low pressure adsorption correlates with several MOF properties, including free volume, topology, and metal center. Additionally, a strong correlation exists between the Henry's constant and the isosteric heat of adsorption for all gases and MOFs considered. Finally, we note that the simulated and experimental gas selectivities demonstrated by this small set of MOFs show improved performance compared to similar values reported for zeolites.

Graphical abstract: Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology

Back to tab navigation

Supplementary files

Publication details

The article was received on 20 Feb 2013, accepted on 17 Apr 2013 and first published on 03 May 2013


Article type: Paper
DOI: 10.1039/C3CP50774B
Citation: Phys. Chem. Chem. Phys., 2013,15, 9093-9106
  •   Request permissions

    Screening metal–organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology

    M. V. Parkes, C. L. Staiger, J. J. Perry IV, M. D. Allendorf and J. A. Greathouse, Phys. Chem. Chem. Phys., 2013, 15, 9093
    DOI: 10.1039/C3CP50774B

Search articles by author

Spotlight

Advertisements