Abstract:

Due to the Due to the prevalence and danger of oxidation reactions in the chemical industry, a study was conducted on the typical process of cyclohexane oxidation. Aspen Plus was employed for process modeling and kinetic modifications. Before correction, the maximum error among the main products was 28.56%, which was reduced to 3.11% after correction. A multi-objective optimization of the non-catalytic oxidation of cyclohexane was conducted using the genetic algorithm (GA), with Dow's fire and explosion index (F&EI), total annual cost (TAC), and residual oxygen concentration as objective functions. The optimization generated a Pareto front. The results demonstrated that, compared to the original operating conditions, the optimized conditions achieved significant improvements. Under the constraint of maintaining the tail oxygen concentration below the industrial warning threshold of 3%, the equipment cost remained largely unchanged, while operating costs decreased by 34.7%. Additionally, the F&EI index was reduced from 156 to 76.66, lowering the risk level from “moderate risk” to “low risk”.

Key words: uncatalyzed oxidation of cyclohexane, optimal design, inherent safety, genetic algorithm, multi-objective optimization, Pareto front

摘要：

由于氧化反应在化工行业存在的普遍性及其危险性，针对典型工艺环己烷氧化进行研究。首先利用Aspen Plus进行建模及动力学修正，修正前主产物中最大误差为28.56%，修正后主产物中最大误差为3.11%。使用遗传算法（GA），以Dow火灾爆炸指数（F&EI）、年总费用（TAC）和尾氧浓度为目标函数，对环己烷无催化氧化这一过程进行多目标优化，获得了Pareto前沿。优化结果表明，与原操作条件相比，新操作条件在维持尾氧浓度小于工业预警值3%的情况下，设备费用基本维持不变，操作费用减少了34.7%，F&EI指数从156降到76.66，危险程度从较危险降为较轻。

关键词: 环己烷无催化氧化, 优化设计, 本质安全, 遗传算法, 多目标优化, Pareto前沿