Efficient Helium Separation with Two-Dimensional Metal-Organic Framework Fe/Ni-PTC: A Theoretical Study.

ABSTRACT: Helium (He) is one of the indispensable and rare strategic materials for national defense and high-tech industries. However, daunting challenges have to be overcome for the supply shortage of He resources. Benefitted from the wide pore size distribution, sufficient intrinsic porosity, and high specific surface area, metal-organic framework (MOF) materials are prospective candidates for He purification in the membrane-based separation technology. In this work, through first-principles calculations and molecular dynamics (MD) simulations, we studied the permeability and filtration performance of He by the newly synthesized two-dimensional Fe-PTC MOF and its analogue Ni-PTC MOF. We found that both Fe-PTC and Ni-PTC have superior high performance for He separation. The selectivity of He over N

SUBMITTER: Wang J 

PROVIDER: S-EPMC8708020 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature