Highly Selective Adsorption and Separation of Aniline/Phenol from Aqueous Solutions by Microporous MIL-53(Al): A Combined Experimental and Computational Study

Experimental measurements have been combined with molecular simulations to investigate the adsorption and separation of aniline/phenol mixtures from aqueous solutions by the aluminum terephthalate MIL-53. The results show that the framework flexibility of this material plays a crucial role in the adsorption process and thus can greatly enhance the separation of the aniline/phenol mixture from their solutions. Compared with the conventional adsorbents, MIL-53(Al) shows the best performance for such systems of interest, from the points of view of both the adsorption capacities and the selectivities for aniline. The findings obtained in this work may facilitate more investigations in connection with the application of flexible nanoporous materials for the separation of organic compounds from liquid-phase environments.