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Quantitative structure–property relationship (QSPR) model has demonstrated that CO2/N2 adsorptive selectivity of MOFs is dependent on ΔQst0/φ (ΔQst0 is the difference of the isosteric heat of adsorption between the two gases and φ is the porosity of the MOF). Under the guidance of this model, three functionalized MOFs were designed by introducing double –NO2, –NH2, or –SO3H groups into each ligand...
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