The transformations of brackish water into freshwater employing porous materials such as metal-organic frameworks (MOFs) show a great potential for a green environment. But the adsorption-based desalination slows down due to slow water adsorption/desorption rates and inadequate water storage capacity in conventional adsorbents. Therefore, the restructuring of porous MOFs increases water storage and transfer rates. This paper presents a comprehensive investigation on the fabrication of ionic liquid encapsulated MIL-101 (Cr) MOFs (metal-organic frameworks), and its interactions with water for desalination applications. Firstly, the pristine MIL-101 (Cr) is encapsulated with various types/amounts of ionic liquids. Next, these MOFs are characterized via SEM (Scanning electron microscope), FTIR (Fourier transform infrared), XRD (X-ray diffraction), TGA (Thermal gravimetric analysis), N2 adsorption techniques. The water adsorption on these MOFs is performed experimentally for a wide temperature (30–80 °C) and pressure (0 < P/Ps < 0.95) ranges. The effects of the size (or type) as well as the encapsulation ratio of ionic liquids on water adsorption behaviors are conducted. Based on the experimentally proven water adsorption (isotherms and kinetics) data, an AD (adsorption desalination) system is modelled and simulated. Finally, the AD performances in terms of the specific daily water production (SDWP) and performance ratio (PR) are parametrically studied with respect to various regeneration temperature (50–80 °C) and cycle times (100 s–1000 s). It is found that by ionic liquid encapsulation, the water uptakes/offtake rates are expedited up to 48% (for adsorption)/55% (for desorption), respectively. In addition, the water transfer (Δq) improves up to 45% more than the parent MIL-101(Cr) MOFs. Furthermore, the SDWP increases from 38 to 56 m3 of water per tonne of MOFs per day at the regeneration temperature of 70 °C. The simulation results also show that the ionic-liquid-encapsulated MIL-101 (Cr) MOFs generates water (>25 m3 water per tonne of IL-MOFs) at the regeneration temperature of 50 °C and is potential for the next generation desalination applications.
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