Water adsorption studies on synthesized alkali-ions doped Al-fumarate MOFs and Al-fumarate plus zeolite composites for higher water uptakes and faster kinetics

摘要

This paper presents molecular shnulation and experimental investigation for water adsorption on aluminium fumarate (Al-fum) MOFs, alkali ions doped Al-furn MOF and Al-furn + CHA/AFI zeolite composites. The Grand Canonical Monte Carlo (GCMC) simulations have been carried out to calculate water-adsorption isotherms. Based on simulation results, the Al-fum MOFs are post-synthesized with (i) 5% Li-ions dopants and (ii) 10%, 30% and 50% CHA/AFI zeolites. The pore structure characteristics are performed by N-2 adsorption analysis. The water adsorption isotherms are conducted from 30 degrees C to 60 degrees C. The newly synthesized adsorbents show faster kinetics with higher water transfer (Delta q) under adsorption-desorption condidons of an adsorption chiller. It is found that (i) 5% Li-ions doped Al-film-MOP shows the Delta q of 0.26 kg/kg, (ii). CHA-zeolite and Al-fum-MOF composite show the Delta q of 0.25 kg/kg with 1.6 times faster kinetics, and (iii) AFI-zeolite and Al-fum-MOF composite show the Delta q of 0.24 kg/kg with 1.2 times faster kinetics as compared to the original Al-fum-MOF adsorbent.