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- W3043245457 abstract "Alkylation of isobutane and butenes in ionic liquids (ILs) is an important industrially applied and environmentally friendly process for the production of high quality gasoline. In a scale-up reactor, we found that the ILs with a small amount of aromatics would exhibit excellent performances for the alkylation reaction. The behaviors of aromatics on the liquid-liquid interface and the alkylation performance of IL/benzene have been investigated by molecular dynamics simulations and experimental studies. Based on density profile, segment orientation, and self-diffusion coefficient, the main reason that benzene affects the IL alkylation performance was discussed. Although the amount of benzene was small, benzene would accumulate in the acid-hydrocarbon interfacial layer during the alkylation process. A little benzene was enough to buffer the strong acidity of chloroaluminate anions at the interface. The presence of benzene also provided a transport channel for reactants, increasing the concentration of isobutane at the interface. At the interface, the proper acidity and higher isobutane-to-olefin ratio significantly improved the IL alkylation performance. Effects of other aromatics on the C4 alkylation have also been studied, which further confirmed our findings in the IL/benzene alkylation reaction. Hopefully, these studies can provide useful information to the design of the ionic liquid catalysts and the optimization of the C4 alkylation process." @default.
- W3043245457 created "2020-07-23" @default.
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- W3043245457 date "2020-12-01" @default.
- W3043245457 modified "2023-10-16" @default.
- W3043245457 title "Effects of aromatics on ionic liquids for C4 alkylation reaction: Insights from scale-up experiment and molecular dynamics simulation" @default.
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- W3043245457 doi "https://doi.org/10.1016/j.cej.2020.126252" @default.
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