One-Step C 2 H 4 Purification from Ternary C 2 H 6 /C 2 H 4 /C 2 H 2 Mixtures by a Robust Metal-Organic Framework with Customized Pore Environment.

One-step C 2 H 4 purification from ternary C 2 H 6 /C 2 H 4 /C 2 H 2 mixtures by a single adsorbent is of great industrial significance, but few adsorbents achieve this separation. Herein, we report a robust metal-organic framework (MOF) that possesses methyl-decorated nonpolar pores and shows one-step C 2 H 4 purification (purity >99.9 %) from binary C 2 H 6 /C 2 H 4 mixtures and ternary C 2 H 6 /C 2 H 4 /C 2 H 2 mixtures. The methyl groups in pores provide a suitable pore environment to simultaneously enhance the adsorption capacity for C 2 H 2 and C 2 H 6 compared to C 2 H 4 . Simulations revealed the multiple interactions between C 2 H 6 or C 2 H 2 molecules and the pore wall, while the interactions with C 2 H 4 molecules are weak and also unfavorable due to the repulsion from methyl groups in pores. The MOF displays high C 2 H 6 and C 2 H 2 uptakes and benchmark C 2 H 6 /C 2 H 4 selectivity (2.2), surpassing all of the reported MOFs for one-step C 2 H 4 purification from ternary C 2 H 6 /C 2 H 4 /C 2 H 2 mixtures.