An amine decorated MOF for direct capture of CO₂ from ambient air

Abstract

Zn(II)-based metal–organic framework (MOF) was synthesized by the self-assembly of dicarboxylate ligand terephthalic acid (TPA), 2-aminoterephthalic acid (NH2-TPA) and N-donor auxiliary ligand 1,4-bis(4-pyridinylmethyl)piperazine (bpmp) using Zn(NO3)2·6H2O under hydrothermal condition. {[Zn(TPA)0.5(NH2TPA)0.5(bpmp)]·DMF·7H2O}n...

A microporous bismuth-based MOF for efficient separation of acetylene from carbon dioxide

“…The C 2 H 2 sorption amount at 298 K and 1.0 bar for Bi–BTC is comparable to some noted MOFs, including Cu@FAU (33.8 cm 3 g −1 ), 8 FJU-36 (52.2 cm 3 g −1 ), 44 ZNU-11 (45.5 cm 3 g −1 ), 26 NKMOF-1–Ni (55.5 cm 3 g −1 ), 45 Cu(bpy)NP (50.7 cm 3 g −1 ) 40 and NbU-7 (47.3 cm 3 g −1 ), 46 but significantly lower than those other materials, such as [Cu(dps) 2 (SiF 6 )] (100.8 cm 3 g −1 ) 39 and SOFOUR–TEPE–Zn (90 cm 3 g −1 ). 41 The C 2 H 2 /CO 2 uptake ratios are 1.88/3.03 and 1.17/1.36, respectively, at 278/298 K and 0.1 and 1.0 bar, which are higher than or comparable to values reported at 298 K and 1.0 bar for TIFSIX-2–Cu-i (1.05), 47 MUF-17 (1.2), 48 ATC–Cu (1.2) 31 and Cu–AD–GA (1.28). 49 Apart from capacity difference, the stronger binding affinity between Bi–BTC and C 2 H 2 could also be reflected by the slopes of sorption isotherms in the low-pressure region.…”

“…20–25 In this regard, many microporous MOFs that can selectively take up acetylene from other gases that possess similar physical properties, such as carbon dioxide or ethylene, have recently been reported. 26–33 Bismuth is a fairly precious heavy metal element (ranked 64th in abundance in the earth's crust). Unlike normal heavy metals, such as lead or mercury, it is safe, environmentally friendly and nontoxic.…”

Efficient Xylene Isomer Separation: Accelerated Screening with Active Learning and Molecular Simulation

“…The molecular insight simulation tool, a C++ based code developed by Singh’s group and utilized in multiple previous studies, ,,, was employed here to conduct m-GCMC simulations. The simulations were conducted at a temperature of 373 K and pressure of 30 kPa, and the molar feed composition was set to 0.33/1/2/1 for eB/oX/mX/pX to mimic an industrial scenario .…”