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- W4200610726 abstract "Abstract To enhance the catalytic performance of H 2 SO 4 ‐catalyzed alkylation, various catalytic additives have drawn considerable attentions. Herein, the effects of deep eutectic solvent (DES) additives on catalytic performance and the interfacial properties of H 2 SO 4 alkylation were systematically investigated using experimental methods and molecular dynamics (MD) simulation. Experimental results indicate that DESs with the optimal concentration about 1.0 wt% can efficiently improve C 8 selectivity and research octane number of alkylate, especially at low temperature, but contribute less to the lifetime of H 2 SO 4 . MD results reveal that the phenyl molecules of DESs additives play a major role in enhancing interfacial properties of H 2 SO 4 alkylation, including enlargement of interfacial thickness, promotion of isobutane relative solubility and diffusion to butene, which is probably the main reason for the better quality of alkylate. This work gives a good guideline for the design of novel DESs for H 2 SO 4 alkylation." @default.
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- W4200610726 date "2022-01-12" @default.
- W4200610726 modified "2023-10-16" @default.
- W4200610726 title "Effects of deep eutectic solvents on H <sub>2</sub> SO <sub>4</sub> ‐catalyzed alkylation: Combining experiment and molecular dynamics simulation" @default.
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- W4200610726 doi "https://doi.org/10.1002/aic.17556" @default.
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