Preparation of MIL-101(Cr)/GO Composite and Its Adsorption Performance toward Nitrogen Compounds in Model fuels

After treatment, the basic nitrogen content in the model fuel (1732 μg(N)/g) decreased to 513.3 μg(N)/g for pyridine and 742.0 μg(N)/g for quinoline, with the corresponding denitrogenation rates reaching 70.4% and 57.2%, respectively. At the adsorption time of 30 min, the basic nitrogen content in the aniline-containing model fuel was reduced to 518.0 μg(N)/g, with a denitrogenation rate of 70.1%. To explore the adsorption mechanism, the models of MIL-101(Cr)/GO adsorbing pyridine, aniline and quinoline were constructed using Materials Studio software, and the adsorption distances and adsorption energies were simulated and calculated.

The results indicate that the adsorption energy followed the order of pyridine > aniline > quinoline, while the distance between the basic lone-pair electrons and Cr³⁺ followed the order of pyridine < aniline < quinoline. The combined effects of these two factors demonstrate that MIL-101(Cr)/GO has a stronger adsorption capacity for pyridine, forming a more stable and compact adsorption configuration.