串连平行及连串反应的等温优化--本科毕业论文.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 要关键词：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 reaction; Isothermal subintervals of reaction time;Pontryagin maximum principle. 前 言 连串反应是反应产物可以进一步反应生成其他产物的反应, 它是化学工业中常见的一类复杂反应[1,2]。如氯化苯合成、烷基苯合成、以硝基苯为原料的对氨基苯酚的电解合成等均属于此类反应[3]。在实际工艺生产中, 未反应的原料总是要回收利用。 连串反应工艺优化的基本目标是使消耗的原料尽可能多的得到目的产物根据优化的具体目标不同, 有不同的优化处理方法，连串反应优化问题有：等温优化，即给定反应时间，优化反应温度。非等温优化以及成本最低优化法。本文讨论给定反应时间，要求目的产物浓度最大时优化反应温度，即求出反应