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为了得到在间歇反应精馏下由乙酸和乙醇制备乙酸乙酯的最佳工艺条件,根据实验数据,利用化工模拟软件Aspen Plus,采用NRTL(non-random two-liquid)活度系数模型和Hayden-O′Connell气相状态方程,进行了计算机模拟计算和工艺过程优化。优化参数包括回流比、加热温度和乙醇乙酸进料摩尔比。在优化后的最佳工艺条件下,回流比为5.1,加热温度为120℃,乙醇乙酸的进料摩尔比为1.04∶1.00,模拟计算结果显示乙酸乙酯在塔顶的质量分数可以达到82.13%。利用优化后的条件,对实验条件进行改进,塔顶乙酸乙酯的质量分数由原来的79.45%提高到了81.95%,证明了模拟计算和优化的可靠性。
In order to get the optimal process conditions for the preparation of ethyl acetate from acetic acid and ethanol under batch reactive distillation, according to the experimental data, chemical modeling software Aspen Plus, NRTL (non-random two-liquid) activity coefficient model and Hayden- O’Connell vapor state equation, computer simulation and process optimization. Optimization parameters include reflux ratio, heating temperature and ethanol-acetic acid feed molar ratio. Under the optimum conditions, the reflux ratio was 5.1, the heating temperature was 120 ℃, the molar ratio of ethanol to acetic acid was 1.04:1.00. The simulation results showed that the mass fraction of ethyl acetate in the top of the column could reach 82.13% . Using the optimized conditions, the experimental conditions were improved, the mass fraction of ethyl acetate in the overhead was increased from 79.45% to 81.95%, which proves the reliability of the simulation and optimization.