A cobalt‐based metal–organic framework for efficient separation of propene from propane via electrostatic effect

Abstract Exploring porous materials for efficient adsorption separation of propene/propane (C 3 H 6 /C 3 H 8 ) mixture to replace the energy‐intensive cryogenic distillation remains a daunting challenge due to the similar physiochemical properties of the two gases. Herein, we report a cobalt‐based metal–organic framework, MUF‐17, for efficient separation of C 3 H 6 /C 3 H 8 by exploiting the electrostatic effect. MUF‐17 exhibits a moderate C 3 H 6 uptake of 2.44 mmol/g and good C 3 H 6 /C 3 H 8 selectivity of 3.8 at 298 K and 1.0 bar. Breakthrough experiments confirm the excellent C 3 H 6 /C 3 H 8 separation with the C 3 H 6 captured productivity of 1.26 mmol/g. Molecular simulations reveal that MUF‐17 enables effective trapping of C 3 H 6 and discrimination from C 3 H 8 , due to the electrostatic potential compatibility well fitting for C 3 H 6 within the confined pore space that provides the stronger binding sites of C 3 H 6 than C 3 H 8 . Furthermore, other combinational features of moisture stable, low‐cost, ready large‐scale synthesis, and good recyclability are observed for MUF‐17, making it a promising candidate for C 3 H 6 /C 3 H 8 separation.