| 초록 |
Anion exchange membrane (AEM)-based CO2 electrolysis suffers from the crossover of (bi)carbonate ions that originate from CO2 supplied to the cathode side. Thereby, a mixture of CO2 and O2 is released from the anode side, which worsens the economic viability of CO2 electrolysis. This work explores the potential of pressure swing adsorption (PSA) processes to improve the economic viability of CO2 electrolysis, which can be achieved by reducing CO2 loss. The question we raise in this work is what adsorbent would be best in the PSA process for the electrolysis performance. For this, we search the most promising adsorbent with the assistance of the multiscale high-throughput computational screening workflow. To consider molecular and process scales, the workflow includes Grand canonical Monte Carlo and PSA process simulations for thousands of metal-organic frameworks. |
