Fine pore engineering in a series of isoreticular metal-organic frameworks for efficient CH/CO separation.

Abstract in brief

• The study focuses on designing metalorganic frameworks (MOFs) with very small, precisely tuned pores (on the subnanometer scale) to improve the separation of acetylene (CH≡CH) from carbon monoxide (CO), which is challenging due to their similar sizes and properties.
• By modifying the structures and incorporating specific binding sites, the researchers identified a particular MOF, SIFSIXdpsCu, that highly favors acetylene adsorption over CO, achieving a selectivity of 1787 at room temperature, based on advanced simulations and experiments.
• The results demonstrate that these engineered MOFs can efficiently and selectively separate gases like acetylene and CO, making the process more effective for industrial applications such as acetylene purification.