Using Molecular Simulations for Elucidation of Thermodynamic Nonidealities in Adsorption of CO₂-Containing Mixtures in NaX Zeolite.

ABSTRACT: Cation-exchanged zeolites are of potential use in pressure swing adsorption (PSA) technologies for CO₂ capture applications. Published experimental data for CO₂/CH₄, CO₂/N₂, and CO₂/C₃H₈ mixture adsorption in NaX zeolite, also commonly referred to by its trade name 13X, have demonstrated that the ideal adsorbed solution theory (IAST) fails to provide adequately accurate estimates of mixture adsorption equilibrium. In particular, the IAST estimates of CO₂/CH₄ and CO₂/N₂ selectivities are significantly higher than those realized in experiments. For CO₂/C₃H₈ mixtures, the IAST fails to anticipate the selectivity reversal phenomena

SUBMITTER: Krishna R 

PROVIDER: S-EPMC7439389 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature