Location of MTBE and toluene in the channel system of the zeolite mordenite: Adsorption and host–guest interactions

This paper reports a study of the location of Methyl Tertiary Butyl Ether (MTBE) and toluene molecules adsorbed in the pores of the organophylic zeolite mordenite from an aqueous solution. The presence of these organic molecules in the zeolite channels was revealed by structure refinement performed by the Rietveld method. About 3 molecules of MTBE and 3.6 molecules of toluene per unit cell were incorporated into the cavities of mordenite, representing 75% and 80% of the total absorption capacity of this zeolite. In both cases a water molecule was localized inside the side pocket of mordenite. The saturation capacity determined by the adsorption isotherms, obtained by batch experiments, and the weight loss given by thermogravimetric (TG) analyses were in very good agreement with these values. The interatomic distances obtained after the structural refinements suggest MTBE could be connected to the framework through a water molecule, while toluene could be bonded to framework oxygen atoms. The rapid and high adsorption of these hydrocarbons into the organophylic mordenite zeolite makes this cheap and environmental friendly material a suitable candidate for the removal of these pollutants from water.

graphical abstractLocation of MTBE (a) and toluene (b) in mordenite channels (projection along the [001] direction).Figure optionsDownload as PowerPoint slideHighlights
► We investigated the MTBE and toluene adsorption process into an organophilic zeolite mordenite.
► The presence of MTBE and toluene in mordenite was determined by X-ray diffraction studies.
► About 3 molecules of MTBE and 3.6 molecules of toluene per unit cell were incorporated into the zeolite cavities.
► MTBE is connected to the framework through a water molecule.
► Toluene is directly bonded to framework oxygen atoms.