Fine-Tuning MOFs with Amino Group for One-Step Ethylene Purification from the C2 Hydrocarbon Mixture

Due to the similar kinetic diameters of C₂H₂, C₂H₄, and C₂H₆, one-step purification of C₂H₄ from a ternary C₂H₂/C₂H₄/C₂H₆ mixture by adsorption separation is still a challenge. Based on a C₂H₆-trapping platform and crystal engineering strategy, the N atom and amino group were introduced into NTUniv-58 and NTUniv-59, respectively. Gas adsorption testing of NTUniv-58 showed that both the C₂H₂ and C₂H₄ uptake capacities and the C₂H₂/C₂H₄ separation ability were boosted compared with the original platform. However, the C₂H₄ uptake value exceeds the C₂H₆ adsorption data. For NTUniv-59, the C₂H₂ uptake at low pressure increased and the C₂H₄ uptake decreased; thus, the C₂H₂/C₂H₄ selectivity was enhanced and the one-step purification of C₂H₄ from a ternary C₂H₂/C₂H₄/C₂H₆ mixture was realized, which was supported by the enthalpy of adsorption (Q_st) and breakthrough testing. Grand canonical monte carlo (GCMC) simulation indicated that the preference for C₂H₂ over C₂H₄ originates from multiple hydrogen-bonding interactions between amino groups and C₂H₂ molecules.