反应路径综合的双层优化法

Two-tier Optimization Method for Reaction Path Synthesis

在简单计量系数反应方程的基础上,对复杂反应路径综合问题提出了双层优化法.第一步找出经济上最优的若干总反应方程式,第二步对总反应进行分解,得出热力学可行的最优分反应.实例分析结果表明该法能够有效地解决实际过程的反应路径综合问题.

Based on the conception of simple stoichiometric reaction, a two-tier optimization method for complex reaction path synthesis problems is addressed. On the first level, a feasible and economic optimal overall reaction is searched by enumerating all simple stoichiometric reactions. Then, these reactions are sorted by gross profits. And evaluations for each reaction from kinetic, thermodynamic and environmental aspects are made. The feasible reaction that has the best profit will be appointed as the reference reaction. The overall reaction of which the profit is less than that of the reference reaction will be abnegated. Those reactions that have better economic potential but are unfeasible will then be tried to be decomposed into several feasible division reactions that take place under different operating conditions on the second level. If the decomposition is possible, the result will be the best reaction path; otherwise the reference reaction is the best result. A case study shows that the method can efficiently solve practical reaction path synthesis problems.