Development of Analytical Models for a Reactive Distillation Process with a Rate-Based Model

为了建立反应精馏过程的数学模型，本文进行了以下研究工作.基于速率模型的反应精馏塔模拟程序的开发该程序采用分段计算的方法，通过求解物料衡算方程和热衡算方程，结合汽液界面的传质传热方程，对反应精馏塔进行了模拟计算。反应项包含在物料衡算方程中.传质系数关联式的改进用表面积为250 m2/m3和350 m2/m3的规整填料的实验数据来关联传质系数和有效界面面积。Bravo，et.等人的传质系数和Henriques de Brito等人的传质系数。为了提高计算精度，采用了有效界面面积的计算方法。优化后的参数说明了有效界面面积估算的重要性.模拟结果与Oldershaw塔实验结果的比较采用七块筛板的Oldershaw塔进行全回流反应精馏实验。根据间歇反应精馏过程的瞬态质量平衡和热量平衡方程，编制了间歇反应精馏过程的模拟程序，并对这些方程进行了数值积分，得到了间歇反应精馏过程的精馏曲线。4.乙酸乙酯合成反应动力学研究通过间歇反应器实验确定了非催化酯化反应动力学。利用确定的速率方程，模拟预测了蒸馏器的液体组成变化，具有更好的精度。

In order to develop the model ft reactive distillation process the following research topics have been done.1. Development of Simulation Program for Analyzing Reactive Distillation Column with Rate-Based ModelThe program consists of segmentwise calculation by solving material and heat balance equations with mass and heat transfer equations at the vapor-liquid interface. Reaction term is included in the material balance equation for the bulk liquid.2. Improvement of Mass Transfer Coefficient CorrelationExperimental data using structured packing of surface area, 250 m2/m3 and 350 m2/m3 are used to correlate the mass transfer coefficient and effective interface area. The equations proposed by Bravo, et. al. for mass transfer coefficient and by Henriques de Brito, et. al. for effective interfacial area are employed to improve their accuracy. The optimized parameters show the importance of estimating the effective interfacial area.3. Comparison of Simulation Results with Experiments using Oldershaw ColumnAn Oldershaw column with seven sieve trays is used for total reflux reactive distillation experiments. The simulation program is developed based on transient mass and heat balance equations and those equations are numerically integrated to obtain distillation curves of batch reactive distillation. It shows the necessity of improving rate equations.4.Study on Reaction Kinetics of Ethyl acetate SynthesisA reaction kinetic of non-catalytic esterification is determined from the batch reactor experiments. Using the determined rate equation the simulation predicts the liquid composition change of the still with better accuracy.