Separation of Xe/Kr mixtures was studied in two copper-paddlewheel metal-organic framework materials, MOF-505 and HKUST-1. For MOF-505, which has small pores with strong adsorption sites, high Xe/Kr selectivities (9–10) are obtained from breakthrough measurements and grand canonical Monte Carlo (GCMC) simulations. The consistent results from both techniques suggest that MOF-505 is a promising candidate for Xe/Kr separation. For HKUST-1, which has small octahedral pores, only modest Xe/Kr selectivities (4.5) are observed from breakthrough measurements, although the GCMC simulations predicted unusually high selectivities at low loadings.
Bibliographical notePublisher Copyright:
© 2012 Elsevier Inc.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials