Cage‐Like Porous Materials with Simultaneous High C2H2 Storage and Excellent C2H2/CO2 Separation Performance

Adsorption‐based separation is an important technology for C2H2 purification due to the environmentally friendly and energy‐efficient advantage. In addition to the high selectivity of C2H2/CO2, the high uptake of C2H2 also plays an important role in the separation progress. However, the trade‐off between adsorption capacity and separation performance is still in a dilemma. Herein, we report a series of cage‐like porous materials named FJI‐H8‐R (R=Me, Et, nPr and iPr) which all have high C2H2 uptakes at 1 bar and 298 K. Dynamic breakthrough studies show that they all exhibit excellent C2H2/CO2 separation performance. Particularly, FJI‐H8‐Me possesses a long breakthrough time up to 90 min g−1. Additionally, Grand Canonical Monte Carlo (GCMC) simulation reveals that the suitable pore space and geometry contribute much to the excellent separation performance. Cage‐like FJI‐H8‐R (R=Me, Et, nPr and iPr) series all exhibit excellent C2H2/CO2 separation performance, which may overcome the trade‐off between adsorption capacity and separation performance.