Synthesis optimization of metal-organic frameworks MIL-125 and its adsorption separation on C8 aromatics measured by pulse test and simulation calculation

Abstract

Abstract The metal-organic frameworks (MIL-125) were synthesized by the solvothermal method and the experimental parameters of preparation, purification and activation were optimized and the physicochemical properties were characterized. The adsorption capacity of MIL-125 on C8 aromatics was tested by the intelligent gravimetric analyzer (IGA) and the toluene vapor static adsorption device. The adsorption selectivity was studied by liquid static adsorption equilibrium experiment and large-scale pulse test. The C8 aromatics adsorption conformation and adsorption heat in MIL-125 was simulated by Materials Studio software. The characterization results show that the synthesized sample has excellent crystallinity, regular morphology with a grain size of about 1\xa0\u200bμm, surface area of 1315\xa0\u200bm2/g, micropore volume of 0.601\xa0\u200bmL/g and a bulk density of 0.45\xa0\u200bg/mL. Moreover, the vapor static adsorption results show that the synthesized sample has almost three times of adsorption capacity as large as BaX zeolite and the liquid dynamic adsorption results indicate the synthesized sample is preferentially selective to pare-xylene with the alkane desorbent. The simulation results show that the adsorption heat of pare-xylene in the synthesized sample and the binding energy of pare-xylene in the tetrahedral cage are the largest among these four isomers.