One-Step Olefin Purification using a Hexanuclear Yttrium-Based Metal–Organic Framework with Pore Cage and N Sites

The olefin industry, centered on C2H4 and C3H6, faces the challenge of high separation-energy consumption in petrochemical production. Pressure swing adsorption offers a potential method for one-step, high-purity olefin separation to reduce this energy burden, but significant challenges remain. This work reports the design and synthesis of a hexanuclear yttrium-cluster-based MOF material, NUC-300, with customized pore cages and N sites for efficient one-step olefin purification. The single-component adsorption isotherms demonstrate that NUC-300 preferentially adsorbs C2H2 and C2H6 over C2H4, and C3H8 over C3H6. Theoretical simulations reveal multiple binding sites within the pore cages that exhibit higher affinity for C2H2 and C2H6 than for C2H4, and for C3H8 than for C3H6. Breakthrough experiments further confirm that NUC-300 enables the one-step separation of high-purity C2H4 and C3H6 from ternary C2H2/C2H4/C2H6 and binary C3H8/C3H6 mixtures, respectively. This research provides an important foundation for developing novel single adsorbents capable of efficient one-step olefin separation.