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采用PW-Amberlite离子交换树脂为催化剂,以乙腈为溶剂,双氧水与柠檬烯同时进料进行反应制备1,2-环氧柠檬烯。同时考察了反应时间、进料比、反应温度等工艺条件对柠檬烯环氧化生成1,2-环氧柠檬烯选择性的影响。利用化工模拟软件Aspen Plus中的Rbatch模块对整个反应进行模拟。模拟计算值与实验结果吻合良好,表明所建立的Rbatch模型能够很好地描述双氧水环氧化柠檬烯制备1,2-环氧柠檬烯的反应过程。以产品1,2-环氧柠檬烯的收率为考察目标,通过模拟计算并结合实验分析,确定了最佳的工艺参数:反应时间为24h;双氧水与柠檬烯的最佳进料摩尔比是n(双氧水):n(柠檬烯)=2:1;反应温度为33℃。
The PW-Amberlite ion exchange resin is used as a catalyst, acetonitrile is used as a solvent, and 1,2-epoxy limonene is prepared by simultaneously feeding hydrogen peroxide and limonene. The effects of reaction conditions such as reaction time, feed ratio and reaction temperature on the selectivity of 1, 2-epoxy limonene to epoxidation of limonene were also investigated. The entire reaction was simulated using the Rbatch module in Aspen Plus, a chemical simulation software. The calculated results are in good agreement with the experimental results, indicating that the established Rbatch model can well describe the reaction process of the preparation of 1,2-epoxy limonene by the hydrogenation of limonene with hydrogen peroxide. The yield of 1,2-epoxy limonene was taken as the research object. Through the simulation calculation and experimental analysis, the optimum technological parameters were determined: the reaction time was 24 h; the optimal molar ratio of hydrogen peroxide to limonene was n Hydrogen peroxide): n (limonene) = 2: 1; reaction temperature was 33 ° C.