What are the best materials to separate a xenon/krypton mixture?

Published in Chem. Mater., 2015

Recommended citation: Simon, Cory M. et al. (2015). "What are the best materials to separate a xenon/krypton mixture?" Chem. Mater. 27(12). 4459-4475. link

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In this work, we screened the Nanoporous Materials Genome, a database of about 670 000 porous material structures, for candidate adsorbents for Xe/Kr separations using a hybrid computational approach combining random forests with molecular simulations. Our study predicts that the two most selective materials in the database are an aluminophosphate zeolite analogue and a calcium-based coordination network, both of which had already been synthesized but (at the time) not yet tested for Xe/Kr separations.

Recommended citation: Simon, Cory M. et al. (2015). “What are the best materials to separate a xenon/krypton mixture?” Chem. Mater. 27(12). 4459-4475.