4.6 Article

Promoting the sulfuric acid catalyzed isobutane alkylation by quaternary ammonium ionic liquids

期刊

AICHE JOURNAL
卷 66, 期 8, 页码 -

出版社

WILEY
DOI: 10.1002/aic.16979

关键词

catalysis; ionic liquids; molecular; simulation

资金

  1. National Natural Science Foundation of China [91434108]

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Seven typical quaternary ammonium ionic liquids, amino acid ionic liquids, and imidazolium ionic liquids were synthesized, characterized, and investigated as co-catalyst for the sulfuric acid catalyzed isobutane alkylation. The results show that the introduction of [OPSIm][HSO4] or [Pr3NPS][HSO4] both leads to a better catalytic performance and higher quality of alkylate products. The molecular dynamic simulation indicates that the [OPSIm][HSO4] can promote the dissolution of isobutane molecules at interface, further improving the ratio of isobutane to olefin from 1.02 to 1.18. Differently, the [Pr3NPS][HSO4] can significantly increase the interface width from 0.66 to 0.97 nm and reduce the interface tension from 28.49 to 14.62 mN/m, thereby enhancing the reaction area and improving the ion transfer. The [Pro][HSO4] and [Gly][HSO4] result in a worse quality of alkylate products due to no positive effect on the interfacial properties such as interfacial solubility of isobutane.

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