Inherently safer design and multi-objective optimization of extractive distillation process via computer-aided molecular design, thermal stability analysis, and multi-objective genetic algorithm

萃取蒸馏 蒸馏 共沸物 工艺工程 遗传算法 化学 计算机科学 工程类 数学 有机化学 数学优化
作者
Jiaxing Zhu,Lin Hao,Hongyuan Wei
出处
期刊:Chemical Engineering Research & Design [Elsevier BV]
卷期号:182: 188-196 被引量:5
标识
DOI:10.1016/j.psep.2023.11.069
摘要

The extractive distillation is a commonly used method for the separation of azeotrope in the chemical industry. In this article, we investigate the safety issue of the extractive distillation process for targeted audience process engineers from the perspective of process safety. We conduct inherently safer design and multi-objective optimization of extractive distillation processes for the separation of methyl acetate/methanol via computer-aided molecular design, thermal hazard analysis, and multi-objective genetic algorithm. Firstly, the entrainers with good safety and separation performances are pre-screened by computer-aided molecular design (CAMD) based on flash point and entrainer selectivity. Then the entrainers with top-ranking separation performance are manually screened based on vapor-liquid equilibria. Next, the Pareto front solution is obtained by optimizing both safety and economic objective functions using a multi-objective genetic algorithm. Finally, the thermal hazard of the entrainer is also investigated via DSC (Differential scanning calorimetry) test. Finally, the optimization result and thermal hazard investigation demonstrate that 1,3-propanediol is inherently safer than dimethyl sulfoxide (DMSO) as a common entrainer in terms of not only a fire hazard but also a thermal hazard for the separation of methyl acetate/methanol mixture. The optimal TAC using 1,3-propanediol as an entrainer is 3.72% lower than that of dimethyl sulfoxide, and the corresponding GISI is 57.73% lower than that of dimethyl sulfoxide. As for DMSO, thermal decomposition can occur near its normal boiling point (189 ℃) and 1,3-propanediol, can be thermally stable over 330 ℃.
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