Efficient C2 Hydrocarbons and CO2 Adsorption and Separation in a Multi-site Functionalized MOF

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A multi-site functionalized microporous metal-organic framework(MOF),H[Zn2(BDP)0.5(ATZ)3]·0.5H20.0.5DMF(1),was synthesized through mixed ligands strategy.The pore surface of complex 1 was modified by uncoordinated carboxylate O atoms,phenyl and pyridyl rings as well as-NH2 groups,which strengthen interactions with C2H6,C2H4 and CO2 molecules and lead to efficiently selective C2H6,C2H4 and CO2 uptake over CH4.The selective adsorption mechanism was discussed deeply based on Grand Canonical Monte Carlo(GCMC)simulations.It is expected that this study will provide a new perspective for the rational design and synthesis of MOFs with efficient gas adsorption and separation performance.
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