Methyl-functionalized microporous metal-organic framework for efficient SF6/N2 separation

Non-CO2 greenhouse gas separation using advanced porous materials

“…Furthermore, a methyl group was introduced into Ni(pba) 2 to reduce its pore size, and the corresponding Ni(3-mpba) 2 exhibited excellent SF 6 uptake capacity (2.83 mmol g −1 at 298 K and 100 kPa) and higher SF 6 /N 2 selectivity (221 at 298 K and 100 kPa) compared with Ni(pba) 2 . 284 In addition, with suitable pore size, Ni(ina) 2 also exhibited exceptional adsorption capacities towards other fluorinated-gases (CF 4 and NF 3 ). 313 And the introduction of an amine group is able to further enhance the confinement towards CF 4 , thereby affording a record selectivity of 46.3 for the CF 4 /N 2 mixture at 298 K and 100 kPa.…”

“…282,283 Owing to the high cost and strong temperature rise effect, perfluorinated gas is widely used as a diluted gas mixture with other inert gases (such as N 2 ), while high-precision industries such as semiconductor manufacturing still need electronic grade purity perfluorinated gases. 20,284 Perfluorinated gas emission may occur at every stage of the equipment life cycle, including manufacturing, transportation, installation, utilization, maintenance and final disposal. 285 The recovery and reuse of perfluorinated gases in the escaped gas or the exhaust gas can reduce the maintenance or manufacturing costs as well as prevent the release of GHGs into the atmosphere.…”

Computer-Aided Design of Covalent Organic Frameworks for SF6 Capture: The Combination of High-Throughput Screening and Machine Learning

“…To begin our investigation, we initiated grand canonical Monte Carlo (GCMC) simulations using RASPA software version 2.0.35 to calculate the gas uptake of SF 6 and N 2 in the COFs at 0.1/1 bar and 298 K. , Studies indicated that a 10:90 ratio of SF 6 /N 2 yielded higher insulating properties than pure SF 6 gas. , To match industrial SF 6 /N 2 mixture condition and literature condition, we set the ratio of SF 6 /N 2 to 10:90. − The SF 6 molecular force field model was represented as a rigid six-point molecular model, as established by Dellis and Samios . This model encompassed six fluorine atoms, with one sulfur atom serving as the center of mass.…”

An ultramicroporous multi-walled metal–organic framework for efficient C2H2/CO2 separation under humid conditions

“…9–11 The design and synthesis of functional MOFs have become one of the frontiers and hotspots in coordination chemistry and materials science. 12,13 With the guidance of reticular chemistry, 14 a large number of innovative structures continue to be reported. 15 The most common 3D structures formed by molecular building block (MBB) linkage with individual metal ions/clusters can be considered as single-walled MOFs.…”