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For a binary mixture of ketones, the BTV10 values of MOF-199 were reduced considerably for MEK and MiBK (in comparison to single component sorption) such as 1579 and 3969 L atm g-1, respectively, reflecting competitive inhibition of the adsorption process. Theoretical simulations based on density functional theory (DFT) elucidated the involvement of highly favorable coordination between the carbonyl group present in ketone molecules and the uncoordinated Cu(II) sites in the MOF-199 structure (Lewis acidic centers). Interestingly, MOF-199
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