Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites
{{output}}
We present a classical density functional theory (DFT) enhanced with a binary solid-fluid interaction parameter, ksi, for the accurate and efficient prediction of the adsorption of small alkane/alkene mixtures in cation-exchanged zeolites. The parameter ksi sc... ...
