Mekala Mallaiah
Department of Chemical Engineering, BV Raju Institute of Technology, Hyderabad, 502313, India.
Data Brief. 2019 Jul 23;27:104262. doi: 10.1016/j.dib.2019.104262. eCollection 2019 Dec.
The simulation of the reactive distillation for the esterification of acetic acid with methanol is carried out using the equilibrium stage model. The pseudo-homogeneous kinetic rate equation is used in equilibrium stage model to perform simulation in Aspen plus Version 7.3. The different parameters like the reflux ratio, number of stages, feed location of the acetic acid are used to obtain the data of mixture composition and acetic acid conversion. The non-ideal behavior of the system is accounted by NRTL, Wilson and UNIQUAC methods. All the thermodynamic models are able to generate data of compositions very well. The composition profiles with different activity based models compared and there is little deviation of water and methanol mole fractions. The optimum number of stages for the present system is 30 for achieving the higher conversion as well as the purity of the distillate. The optimum reflux ratio is 1.9, feed flow rate of acetic acid and methanol is 10.2 mol/hr, location of acetic acid above the reactive zone and methanol below the reactive zone gives the 99.5% by mole of the methyl acetate and 99% acetic acid conversion.
采用平衡级模型对乙酸与甲醇酯化反应精馏过程进行模拟。在平衡级模型中使用拟均相动力学速率方程，在Aspen plus 7.3版本中进行模拟。通过改变回流比、塔板数、乙酸进料位置等不同参数，获取混合物组成和乙酸转化率的数据。采用NRTL、Wilson和UNIQUAC方法考虑系统的非理想行为。所有热力学模型都能很好地生成组成数据。比较了不同活度基模型的组成分布，水和甲醇摩尔分数的偏差很小。为了实现较高的转化率和馏出物纯度，本系统的最佳塔板数为30。最佳回流比为1.9，乙酸和甲醇的进料流量为10.2 mol/hr，乙酸在反应区上方进料、甲醇在反应区下方进料时，乙酸甲酯的摩尔分数可达99.5%，乙酸转化率可达99%。
