Process design and intensification of multicomponent azeotropes special distillation separation via molecular simulation and system optimization

doi:10.1016/j.cjche.2024.03.021

Abstract

Abstract: This work provides an overview of distillation processes, including process design for different distillation processes, selection of entrainers for special distillation processes, system integration and intensification of distillation processes, optimization of process parameters for distillation processes and recent research progress in dynamic control strategies. Firstly, the feasibility of using thermodynamic topological theories such as residual curve, phase equilibrium line and distillation boundary line to analyze different separation regions is discussed, and the rationality of distillation process design is discussed by using its feasibility. Secondly, the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process. The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications. Next, a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced. Finally, the improvement of dynamic control strategies for different distillation processes in recent years is summarized. This work focuses on the application of process intensification and system optimization in the design of distillation process, and analyzes the challenges, prospects, and development trends of distillation technology in the separation of multicomponent azeotropes.

Key words: Azeotrope separation, Process design, Optimization algorithm, Process integration, Dynamic control, Entrainer selection

摘要： This work provides an overview of distillation processes, including process design for different distillation processes, selection of entrainers for special distillation processes, system integration and intensification of distillation processes, optimization of process parameters for distillation processes and recent research progress in dynamic control strategies. Firstly, the feasibility of using thermodynamic topological theories such as residual curve, phase equilibrium line and distillation boundary line to analyze different separation regions is discussed, and the rationality of distillation process design is discussed by using its feasibility. Secondly, the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process. The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications. Next, a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced. Finally, the improvement of dynamic control strategies for different distillation processes in recent years is summarized. This work focuses on the application of process intensification and system optimization in the design of distillation process, and analyzes the challenges, prospects, and development trends of distillation technology in the separation of multicomponent azeotropes.

关键词: Azeotrope separation, Process design, Optimization algorithm, Process integration, Dynamic control, Entrainer selection

Chunliang Liu, Jianhui Zhong, Ranran Wei, Jiuxu Ruan, Kaicong Wang, Zhaoyou Zhu, Yinglong Wang, Limei Zhong. Process design and intensification of multicomponent azeotropes special distillation separation via molecular simulation and system optimization[J]. Chinese Journal of Chemical Engineering, 2024, 71(7): 24-44.

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