A Novel Aliphatic Zr‐Based Nanocluster With S‐Shaped Channel for CO 2 Adsorption and Separation Under Humid Condition

ABSTRACT Carbon dioxide (CO 2 ) not only contributes to global warming, but also poses challenges in industrial processes, such as the purification of acetylene (C 2 H 4 ). Herein, a novel aliphatic Zr‐based nanocluster, ZJU‐527(Zr), was synthesized from low‐cost citric acid. It exhibits a specific surface area of 174.24 m 2 /g, an S‐shaped channel (4.52–5.13 Å), and excellent stability over a pH range of 3–12. CO 2 adsorption on ZJU‐527(Zr) is well maintained after five cycles, owing to its excellent chemical and thermal stability. ZJU‐527(Zr) exhibits excellent humidity resistance, with dynamic CO 2 adsorption remaining nearly unchanged (7.05 cm 3 /g at dry and 5.17 cm 3 /g at 80% RH). For a CO 2 /N 2 ( v/v , 15/85) mixture, it has excellent ideal adsorbed solution theory selectivity of 200.60 and dynamic separation coefficients (29.90 at dry, 21.27 at 80% relative humidity (RH)). During Ar purging, CO 2 is readily desorbed from the S‐shaped channel in both CO 2 /N 2 and CO 2 /C 2 H 4 systems, due to its low isosteric heat of adsorption (20.64 kJ/mol). Thus, ZJU‐527(Zr) is a promising candidate for CO 2 adsorption and separation, with easy desorption and effective regeneration.