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Hydrogen Uptake on Coordinatively Unsaturated Metal Sites in VSB-5: Strong Binding Affinity Leading to High-Temperature D2/H2 Selectivity

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† § Department of Chemistry and Biochemistry and §High Pressure Science and Engineering Center, University of Nevada Las Vegas, Las Vegas, Nevada 89154, United States
Oak Ridge National Laboratory, Spallation Neutron Source, Oak Ridge, Tennessee 37831, United States
Physics and Astronomy Department and Chemistry and Biochemistry Department, Oberlin College, Oberlin, Ohio 44074, United States
Cite this: Langmuir 2017, 33, 51, 14586–14591
Publication Date (Web):November 17, 2017
https://doi.org/10.1021/acs.langmuir.7b03580
Copyright © 2017 American Chemical Society

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    Abstract

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    We examine the adsorption of hydrogen and deuterium into the nanoporous nickel phosphate, VSB-5. On the basis of gas sorption analysis, VSB-5 exhibits one of the highest measured H2 heats of adsorption (HOA) for hydrogen (16 kJ/mol) yet reported. This high HOA is consistent with an unusually large red shift in the Q(1) and Q(0) hydrogen vibrational modes as measured with in situ infrared spectroscopy. The HOA for D2 is measured to be 2 kJ/mol higher than that for H2. “Ideal adsorbed solution theory” analysis of H2 and D2 isotherms provides selectivities above 4 for deuterium at 140 K, suggesting that VSB-5 is a promising adsorbent for pressure-swing adsorption-type separations of hydrogen isotopes.

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.langmuir.7b03580.

    • Powder X-ray diffraction data, temperature dependence of isothermal measurements, adsorption simulations, critical parameters and force field parameters for H2 and D2, simulated H2 and D2 adsorption isotherms and isosteric heats of adsorption, and initial heats of adsorption (PDF)

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