Metal–Organic Framework Based Hydrogen-Bonding Nanotrap for Efficient Acetylene Storage and Separation

• DOI: 10.1021/jacs.1c10620
• Publication Date: 2021-12-29T21:43:31Z
• Authors: Yingxiang Ye; Shikai Xian; Hui Cui; Kui Tan; Lingshan Gong; Bin Liang; Tony Pham; Haardik Pandey; Rajamani Krishna; Pui Ching Lan; Katherine A. Forrest; Brian Space; Timo Thonhauser; Jing Li; Shengqian Ma
• Keywords: Isostructural; Acetylene

The removal of carbon dioxide (CO2) from acetylene (C2H2) is a critical industrial process for manufacturing high-purity C2H2. However, it remains challenging to address the tradeoff between adsorption capacity and selectivity, on account their similar physical properties molecular sizes. To overcome this difficulty, here we report novel strategy involving regulation hydrogen-bonding nanotrap pore surface promote separation C2H2/CO2 mixtures in three isostructural metal-organic frameworks (MOFs, named MIL-160, CAU-10H, CAU-23, respectively). Among them, which has abundant acceptors as nanotraps, can selectively capture molecules demonstrates an ultrahigh C2H2 storage (191 cm3 g-1, or 213 cm-3) but much less CO2 uptake (90 g-1) under ambient conditions. amount MIL-160 remarkably higher than those other two MOFs (86 119 g-1 CAU-10H respectively) same More importantly, both simulation experimental breakthrough results show that sets new benchmark equimolar terms potential (Δqbreak = 5.02 mol/kg) productivity (6.8 mol/kg). In addition, situ FT-IR experiments computational modeling further reveal unique host-guest multiple interaction key factor achieving extraordinary superior selectivity. This work provides powerful approach extremely gas separation.