Browsing by Author "Liang, WB"

Now showing 1 - 2 of 2
  • No Thumbnail Available
    Item
    Concentration-dependent binding of CO2 and CD4 in UiO-66 (Zr)
    (American Chemical Society, 2015-04-02) Chevreau, H; Liang, WB; Kearley, GJ; Duyker, SG; D'Alessandro, DM; Peterson, VK
    Porous metal–organic frameworks (MOFs) have emerged as promising materials for the capture of carbon dioxide (CO2) and its separation from methane (CH4) during the industrially important “sweetening” of sour natural-gas. The excellent thermal and chemical stability of the highly porous UiO-66(Zr) material, combined with good selectivity for CO2 over CH4, makes this material a prime candidate for such applications. Using a combination of neutron powder-diffraction and density-functional theory, we examine the details of the binding of CO2 and CH4 in UiO-66(Zr) over the industrially relevant 3.6–9.0 mmol/g concentration range, corresponding to the material that is half to fully saturated with CO2. This work builds on the previously reported preferred site for CO2 and CH4 in UiO-66(Zr), establishing further sites and determining the strength and nature of the guest–host interaction at these. We find the UiO-66(Zr)···CO2 interactions are significantly affected by the concentration of CO2 as the binding of CO2 is enhanced by interguest interactions. © 2015 American Chemical Society
  • No Thumbnail Available
    Item
    Tuning pore size in a zirconium–tricarboxylate metal–organic framework
    (Royal Society of Chemistry, 2014-06-04) Liang, WB; Chevreau, H; Ragon, F; Southon, PD; Peterson, VK; D'Alessandro, DM
    The water-stable zirconium–tricarboxylate series of frameworks, [Zr6O4(OH)4(X)6(btc)2]·nH2O, where X = formate (F), acetate (A), or propionate (P), exhibit tunable porosity by virtue of systematic modulation of the chain length of the monocarboxylate ligand X. This modification not only impacts the pore size of the framework, but provides an important avenue for the construction of mixed-linker MOFs. © 2014, The Royal Society of Chemistry.