4.8 Article

Benchtop In Situ Measurement of Full Adsorption Isotherms by NMR

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In Situ Nuclear Magnetic Resonance Investigation of Molecular Adsorption and Kinetics in Metal-Organic Framework UiO-66

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Summary: By using in situ H-1 nuclear magnetic resonance (NMR) isotherm technique, the macroscopic thermodynamic and kinetic properties of molecular adsorption and transport in metal-organic frameworks (MOFs) were measured, while obtaining microscopic information revealed by adsorbed molecules via NMR. The separate isotherms for molecules adsorbed in distinct environments in MOF UiO-66 were obtained, correlating with nucleus-independent chemical shift, molecular dynamics, and mass transfer rate as measured by NMR and elucidated by classical Monte Carlo simulations to gain a mechanistic view of the adsorption process.

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