Cage-Like Porous Materials with Simultaneous High C₂ H₂ Storage and Excellent C₂ H₂ /CO₂ Separation Performance

Adsorption-based separation is an important technology for C₂ H₂ purification due to the environmentally friendly and energy-efficient advantage. In addition to the high selectivity of C₂ H₂ /CO₂ , the high uptake of C₂ H₂ 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, ⁿ Pr and ⁱ Pr) which all have high C₂ H₂ uptakes at 1 bar and 298 K. Dynamic breakthrough studies show that they all exhibit excellent C₂ H₂ /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.