2026-10-14T00:12:35Z https://www.scidb.cn/oai

10.57760/sciencedb.j00124.00580 2026-07-16T15:55:58Z

2026-07-16 Preparation of MIL-101(Cr)/GO Composite and Its Adsorption Performance toward Nitrogen Compounds in Model fuels doi:10.57760/sciencedb.j00124.00580 en In this study, MIL-101(Cr)/GO composites were prepared via a hydrothermal synthesis method using MIL-101 as the precursor, with the mass ratios of graphene oxide (GO) to chromium(III) nitrate nonahydrate set at 1:400, 2:400, and 4:400 respectively. The phase composition, morphology and pore structure of the composites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), N₂ adsorption-desorption analysis, Fourier-transform infrared (FT-IR), TEM spectroscopy and energy-dispersive X-ray spectroscopy (EDS). Meanwhile, the influence of adsorption time on the adsorption of basic nitrogen compounds from model fuel by MIL-101(Cr)/GO was investigated. The results show that MIL-101(Cr)@GO(2:400) has a relatively large specific surface area, pore volume and pore size, while the specific surface areas and pore volumes of all three types of MIL-101(Cr)/GO composites are lower than those of the parent MIL-101(Cr). When the dosage of MIL-101(Cr)@GO(2:400) was 0.025 g, the volume of model fuel was 5 mL and the adsorption time was 40 min, the composite exhibited good denitrogenation performance for pyridine and quinoline. 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. Graphene oxide; MIL-101(Cr)@GO; Model fuels; Adsorption denitrification; Simulation calculations chen jing hui Tangke Hong Xin Qin Yue Shen Shuo PUBLIC https://creativecommons.org/licenses/by/4.0/ dataset Science Data Bank