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Title: A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification
Luna, Phil De
Daff, Thomas D.
Rother, Jens
Buchanan, William
Hawari, Ayman I.
Woo, Tom
Liu, Ming
Liu, Ming
Dept. of Chemistry
Keywords: Ultra-microporous MOF
CO2 capture
Hydrogen purification
CO2 self-diffusivity
Positron annihilation
lifetime spectroscopy of MOF
Issue Date: Dec-2015
Publisher: American Association for the Advancement of Science
Citation: Science Advances, 1(11), 1500421.
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.
ISSN: 2375-2548
Appears in Collections:JOURNAL ARTICLES

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