文献类型：期刊文献

中文题名：非均相催化精馏过程模拟

英文题名：Simulation of Heterogeneous Catalytic Distillation Process

作者：漆志文[1];张瑞生[1];于遵宏[1]

机构：[1]华东理工大学联合化学反应工程研究所

年份：1998

卷号：24

期号：3

起止页码：279

中文期刊名：华东理工大学学报（自然科学版）

外文期刊名：Journal of East China University of Science and Technology

收录：CSTPCD;;国家哲学社会科学学术期刊数据库;Scopus;北大核心:【北大核心1996】；CSCD:【CSCD2011_2012】；

语种：中文

中文关键词：非均相;模拟;算法;平衡反应;催化精馏

外文关键词：heterogeneous; mathematical simulation; algorithm; equilibrium reaction; nonequilibrium reaction; catalytic distillation

摘要：针对既有可逆平衡反应又有非平衡反应的催化精馏过程，提出了一组适用于非理想系统的微分数学模型和新的模拟算法，即用反应速率方程计算非平衡反应的反应量，用可逆反应平衡常数作为组分浓度的约束，使迭代变量数减少；联用Ｎｅｗｔｏｎ－Ｒａｐｈｓｏｎ迭代法和多目标打靶法对模型求解。用该算法模拟了填料塔中苯烃化催化精馏过程，模拟结果表明，该算法收敛速度快，稳定性好，与实验值吻合较好。
A new algorithm has been developed to simulate the catalytic distillation process with both equilibrum and nonequilibrium reactions. Chemical kinetic equations for irreversible reactions and chemical equilibrium equations for reversible reactions are known. Both chemical kinetic equations and chemical equilibrium equations are contained in the model. Chemical equilibrium equations are used as constraints for normalization ones, and iterative variables are then be deduced. The multishooting method is used to solve the model equations. The process of alkylation of benzene with ethylene in a catalytic distillation column was used as a numerical example. The developed algorithm showed rapid and stable convergence.