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A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification

Show simple item record NANDI, SHYAMAPADA en_US Luna, Phil De en_US Daff, Thomas D. en_US Rother, Jens en_US Buchanan, William en_US Hawari, Ayman I. en_US Woo, Tom en_US VAIDHYANATHAN, RAMANATHAN en_US Liu, Ming en_US Liu, Ming en_US 2019-03-15T11:25:25Z 2019-03-15T11:25:25Z 2015-12 en_US
dc.identifier.citation Science Advances, 1(11), 1500421. en_US
dc.identifier.issn 2375-2548 en_US
dc.identifier.uri en_US
dc.description.abstract Metal organic frameworks (MOFs) built from a single small ligand typically have high stability, are rigid, and have syntheses that are often simple and easily scalable. However, they are normally ultra-microporous and do not have large surface areas amenable to gas separation applications. We report an ultra-microporous (3.5 and 4.8 Å pores) Ni-(4-pyridylcarboxylate)2 with a cubic framework that exhibits exceptionally high CO2/H2 selectivities (285 for 20:80 and 230 for 40:60 mixtures at 10 bar, 40°C) and working capacities (3.95 mmol/g), making it suitable for hydrogen purification under typical precombustion CO2 capture conditions (1- to 10-bar pressure swing). It exhibits facile CO2 adsorption-desorption cycling and has CO2 self-diffusivities of ~3 × 10−9 m2/s, which is two orders higher than that of zeolite 13X and comparable to other top-performing MOFs for this application. Simulations reveal a high density of binding sites that allow for favorable CO2-CO2 interactions and large cooperative binding energies. Ultra-micropores generated by a small ligand ensures hydrolytic, hydrostatic stabilities, shelf life, and stability toward humid gas streams. en_US
dc.language.iso en en_US
dc.publisher American Association for the Advancement of Science en_US
dc.subject Ultra-microporous MOF en_US
dc.subject Precombustion en_US
dc.subject CO2 capture en_US
dc.subject Hydrogen purification en_US
dc.subject CO2 self-diffusivity en_US
dc.subject Positron annihilation en_US
dc.subject lifetime spectroscopy of MOF en_US
dc.subject 2015 en_US
dc.title A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification en_US
dc.type Article en_US
dc.contributor.department Dept. of Chemistry en_US
dc.identifier.sourcetitle Science Advances en_US
dc.publication.originofpublisher Foreign en_US

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