双氧水环氧化柠檬烯的实验研究与模拟分析  

Experimental research and simulation for limonene epoxidation by hydrogen peroxide on PW-Amberlite

作　　者：蔡东方[1] 王黎[1] 徐静[1] 王梓召[1] 贺小红[1] 

机构地区：[1]西安交通大学化工系,陕西西安710049

出　　处：《计算机与应用化学》2011年第9期1185-1188,共4页Computers and Applied Chemistry

摘　　要：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 experimental study of limonene epoxidation over PW-Amberlite, limonene epoxidation was prepared with acetonitrile as solvent, hydrogen peroxide and limonene as raw materials. Be attention, the raw materials were feed at the same time. The experiment was simulated by using Rbatch model of Aspen Plus on the basis of the results of experiments. Compared the results of experiments and simulating results, they match very well. Simulation results demonstrate that Rbatch model can successfully reproduce the reaction processes of limonene epoxidation, the limonene operation selectivity were investigated under different conditions with different reaction time, feed ratios and reaction temperature. Ultimately, The optimum operation parameters of limonene epoxidation are as follows： the reaction time is 24 hours, the feed ratio of oxidant to limonene is 2：1 and the reaction temperature is 33 ^oC.

关 键 词：柠檬烯环氧化 选择性 ASPEN Plus模拟 最佳工艺参数 

分 类 号：TQ015.9[化学工程] TP391.9[自动化与计算机技术—计算机应用技术]