Abstract: In this work，a novel method of synthesizing reaction paths while considering influence of kinetics and environmental constraints is presented. A concept of equilibrium temperature interval is used to estimate kinetic attributes of reactions. Under a set of given raw materials and desired products, a set of potential intermediate chemicals, joint products are chosen through chemical reasoning on the basis of atoms and functional groups constituting the raw materials available. The reaction path network is generated with the atom balance equation obtained. Then some fuzzy rules are used to evaluate each reaction’s equilibrium temperature interval. Finally, a fuzzy model is solved to get all fuzzy objects such as economic and environmental object for each reaction, and a multi-objective programming problem is solved to get a series of reaction paths including the best pathway.

Key words:

反应路径综合, 反应动力学, 平衡温距, 模糊优化, 多目标优化

摘要： 提出了一种考虑动力学影响和环境约束的反应路径综合方法. 引入平衡温距的概念来估计反应的动力学属性.可从多种备选物质之中找到生产某种指定产品的较好的反应路径和相应的原料.根据原子平衡方程综合反应路径，建立模糊规则来评价反应的平衡温距，并求解带有模糊参数的多目标机会约束规划模型，得到一系列经济、环境上均优化可行的反应路径.用合成氨联产尿素的实例对该方法进行了说明.

关键词:

反应路径综合, 反应动力学, 平衡温距, 模糊优化, 多目标优化