Benchmark Performance of One-Step Ethylene Separation: From Optimized Crystal Synthesis to Quantitative Mixture Breakthrough Experiment and Simulation

As highlighted by the development of C 2 H 6 -selective adsorbents for one-step separation of C 2 H 4, adsorption is promising for chemical separation; however, the field still suffers from the lack of benchmark adsorbents and quantitative evaluation protocols. In this work, an amorphous-recrystallization method is developed to control the crystal size and morphology of the pioneering C 2 H 6 -selective adsorbent MAF-49. At the optimal crystal size, the C 2 H 4 kinetic selectivity is negligible, enabling the highest productivity of 3.1 mmol cm –3 for one-step C 2 H 4 purification from the 15:1 C 2 H 4 /C 2 H 6 mixture. Larger crystals exhibit higher C 2 H 4 kinetic selectivity, which sharply decrease the C 2 H 4 purification performance and can even lead to apparent C 2 H 4 selectivity. Switching the column breakthrough experiment from the conventional outlet concentration mode to the outlet flow-rate mode and modifying the RUPTURA simulation code enable the quantitative evaluation and prediction of key parameters for gas mixture adsorption and separation, such as purification productivity, adsorption amount, and selectivity.