Highlighting the Anti-Synergy between Adsorption and Diffusion in Cation-Exchanged Faujasite Zeolites.

ABSTRACT: Using configurational-bias Monte Carlo simulations of adsorption equilibrium and molecular dynamics simulations of guest diffusivities of CO₂, CH₄, N₂, and O₂ in FAU zeolites with varying amounts of extra-framework cations (Na⁺ or Li⁺), we demonstrate that adsorption and diffusion do not, in general, proceed hand-in-hand. Stronger adsorption often implies reduced mobility. The anti-synergy between adsorption and diffusion has consequences for the design and development of pressure-swing adsorption and membrane separation technologies for CO₂ capture and N₂/O₂ separations.

SUBMITTER: Krishna R 

PROVIDER: S-EPMC9026072 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature