Abstract

In this paper, a Prussian blue analogue Co[CoIII(CN)6]0.66·5.2H2O and commercial Cu-BTC and ZIF-8 materials are compared in terms of their sorption capabilities for water or hydrocarbons. Experimental and theoretical approaches were combined in order to better understand the microscopic mechanisms ruling their different sorption properties. It was first demonstrated that amongst the three materials investigated, ZIF-8 was the most hydrophobic, whereas the PBA was more hydrophilic. In terms of sorption capacities, Cu-BTC is highly efficient for adsorption of the investigated hydrocarbons with large adsorption capacities (150 mg.g−1), however, it has proven unstable in the presence of water and cannot be used for humid hydrocarbons adsorption and separation. n-Hexane is preferentially adsorbed (250 mg.g−1 at saturation) in the hydrophobic ZIF-8, whereas cyclohexene is not, due to the size of the windows. Even if ZIF-8 did not adsorb water, its porosity decreased in the presence of water. On the contrary, CoCo is stable in humid conditions and even if its sorption capacity is lower than that found for the other MOFs investigated, it seems more appropriate for humid hydrocarbons sorption or separation.

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