High-efficient esterification of rosin and glycerol catalyzed by novel rare earth Lewis acidic ionic liquid: Reaction development and mechanistic study

编号 020032605

推送时间 20220117

研究领域 林产化工 

年份 2022 

类型 期刊 

语种 英语

标题 High-efficient esterification of rosin and glycerol catalyzed by novel rare earth Lewis acidic ionic liquid: Reaction development and mechanistic study

来源期刊 Journal of the Taiwan Institute of Chemical Engineers

期 第326期

发表时间 20210802

关键词 Rosin glyceride;  Rare earth Lewis acidic ionic liquid;  Esterification;  DFT;  Catalysis; 

摘要 Background: As one of the most important modified products of rosin, rosin glyceride was widely used in many aspects. However, the preparation of rosin glyceride is always unfriendly due to the use of liquid catalyst, such as H2SO4 and H3PO4. Methods: The rosin glyceride with low acid value was synthesized in vacuum conditions using a novel Lewis acidic ionic liquid 1–butyl–3–methylimidazolium chloroscandinate[BuMeim][Sc2Cl7] as catalyst. The [BuMeim][Sc2Cl7] is of excellent catalytic activity and stability. The efficient catalytic activity was studied via the combined Density Functional Theory (DFT) and experimental conditions. Significant findings: The DFT proved the free energy of the esterification could reach to 31.6 Kcal/mol, which illuminates that the excellent coordination of the anions and cations in the [BuMeim][Sc2Cl7] greatly reduces the reaction energy barrier and promotes the efficient progress of the reaction. As a result, [BuMeim][Sc2Cl7] is a good catalyst for the esterification of rosin and glycerol to prepare rosin glyceride. Furthermore, [BuMeim][Sc2Cl7] could be a potential catalysts for the other esterification.

服务人员 尚玮姣

服务院士 宋湛谦

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