连串—平行及连串反应的等温优化_毕业论文.doc

毕 业 论 文 题 目：连串—平行及连串反应的等温优化 学 院： 物理与化学学院 年级、专业： 2009级、化学 学 生： 黄芮 学 号： 312009070301236 指导教师： 彭昌荣 完成日期： 2013年 5月 20日 目 录 摘 要 3 Abstract 4 前 言 5 1 等温优化计算实例 5 1.1 等温优化结果 7 2 非等温优化计算实例 12 2.1 对该反应作等温搜索的计算结果 15 3 结果与讨论 16 总结与体会 18 谢 辞 19 参考文献 20 附MATLAB程序 21 摘 要 在精细化工生产中，以复杂反应系统为特征的、能生成不希望的最终产物的连串-平行反应或连串反应是俯拾皆是的，而这一类反应的目标又常常是希望获得高质量和高纯度的产品，根据反应的特点和约束条件，进行操作条件的优化是必要的。本文首先对一个连串-平行反应实例的操作条件进行了等温优化并编写了相应的Matlab程序；其次对一个经典的连串反应的温度控制问题，采用各间隔反应时间内等温的方法进行了目标产物浓度最大问题的优化并编写了相应的Matlab程序；第二个计算实例中提供的优化算法比庞特里亚金极大值原理要简单的多，尽管其优化的温度分布是次优的，但是，可以通过改变程序中间隔反应时间的数目来逼近最优。 关键词：连串-平行反应 连串反应 等温反应时间间隔 庞特里亚金极大值原理 Abstract Consecutive-parallel or consecutive reaction is still widely used in fine chemical production which is characterized by quite complex reaction system which can produce undesirable end products. As the aim of the fine chemical industry is to produce high quality and purity products,It is essential to optimize operating conditions，taking into account constrains and reation’s characteristics. In this work, the first part of this paper dealed with the optimal isothermal operating conditions of a consecutive-parallel and the corresponding Matlab program for this type of reaction was programmed. Then the optimal temperature profile of a classical consecutive, taking into account the mximum concentration of objective product, and the corresponding Matlab program for this type of reaction were carried out by the several isothermal subintervals of reaction time on the basis of the characteristics of the studied reaction. The second computing example’s method proposed by myself compared with Pontryagin maximum principle was relatively simple. By Increasing the number of isothermal subintervals of reaction time, I’m sure the optimal results can approach to Pontryagin maximum principle’s computing results. Keywords: Consecutive-parallel reaction; Consecutive r