Abstract
Self-diffusion measurements with methane and carbon dioxide adsorbed in the Zeolitic Imidazolate Framework-8 (ZIF-8) were performed by 1H and 13C pulsed field gradient nuclear magnetic resonance (PFG NMR). The experiments were conducted at 298 K and variable pressures of 7 to 15 bar in the gas phase above the ZIF-8 bed. Via known adsorption isotherms these pressures were converted to loadings of the adsorbed molecules. The self-diffusion coefficients of carbon dioxide measured by PFG NMR are found to be independent of loading. They are in good agreement with results from molecular dynamic (MD) simulations and resume the trend previously found by IR microscopy at lower loadings. Methane diffuses in ZIF-8 only slightly slower than carbon dioxide. Its experimentally obtained self-diffusion coefficients are about a factor of two smaller than the corresponding values determined by MD simulations using flexible frameworks.
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Acknowledgements
The authors would like to thank Friederike Pielenz and the INC Leipzig for the measurement of the high-pressure CO2 adsorption isotherm. We also thank Christian Chmelik for helpful discussions of the loading dependences of the experimental diffusivities.
The research leading to these results has received funding from the European Union Seventh Framework Programme [FP7/2007-2013] under grant agreement no. FP7-NMP-2008-EU-India-233502—AMCOS project. The work was also financially supported by the German Science Foundation through the DFG-SPP 1362 (Porous Metal-Organic Frameworks) and the GK 1056 (Diffusion in Porous Materials).
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Pusch, AK., Splith, T., Moschkowitz, L. et al. NMR studies of carbon dioxide and methane self-diffusion in ZIF-8 at elevated gas pressures. Adsorption 18, 359–366 (2012). https://doi.org/10.1007/s10450-012-9414-2
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DOI: https://doi.org/10.1007/s10450-012-9414-2