A pseudo transient nonequilibrium method for rigorous simulation of multicomponent separation columns

doi:10.1016/j.cjche.2023.04.011

Chinese Journal of Chemical Engineering ›› 2023, Vol. 62 ›› Issue (10): 57-64.DOI: 10.1016/j.cjche.2023.04.011

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A pseudo transient nonequilibrium method for rigorous simulation of multicomponent separation columns

Jie Wu¹, Yiqing Luo^1,2,3, Xigang Yuan^1,2,3

1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China;
2. Chemical Engineering Research Center, Tianjin University, Tianjin 300350, China;
3. State Key Laboratory of Chemical Engineering, Tianjin University, Tianjin 300350, China

Received:2023-01-31 Revised:2023-04-03 Online:2023-12-23 Published:2023-10-28
Contact: Yiqing Luo,E-mail:luoyq@tju.edu.cn
Supported by:
This research was supported by the National Natural Science Foundation of China (21978203).

A pseudo transient nonequilibrium method for rigorous simulation of multicomponent separation columns

Jie Wu¹, Yiqing Luo^1,2,3, Xigang Yuan^1,2,3

1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China;
2. Chemical Engineering Research Center, Tianjin University, Tianjin 300350, China;
3. State Key Laboratory of Chemical Engineering, Tianjin University, Tianjin 300350, China

通讯作者: Yiqing Luo,E-mail:luoyq@tju.edu.cn
基金资助:
This research was supported by the National Natural Science Foundation of China (21978203).

Abstract

Abstract: Nonequilibrium stage model is a significant improvement in multicomponent separation process simulation, but more equations are involved and the solution of the model equations, which relies on an adequate initial guess for convergence of the Newton method, is difficult. In this work, based on the concept of pseudo-transient continuation approach, we proposed a new pseudo-transient (PT) nonequilibrium method. The proposed method decouples the strongly coupled model equations by introducing dynamic equations for material and energy conservation, as well as transition equations. Thus, the steady-state solution of the nonequilibrium stage model can be obtained through a robust and fast integration process, and the initial guess issue in Newton method can be effectively avoided. Two simulation cases were used to demonstrate the advantages and applicability of the proposed PT nonequilibrium method.

Key words: Nonequilibrium stage model, Pseudo-transient continuation, Distillation, Numerical simulation, Systems engineering

摘要： Nonequilibrium stage model is a significant improvement in multicomponent separation process simulation, but more equations are involved and the solution of the model equations, which relies on an adequate initial guess for convergence of the Newton method, is difficult. In this work, based on the concept of pseudo-transient continuation approach, we proposed a new pseudo-transient (PT) nonequilibrium method. The proposed method decouples the strongly coupled model equations by introducing dynamic equations for material and energy conservation, as well as transition equations. Thus, the steady-state solution of the nonequilibrium stage model can be obtained through a robust and fast integration process, and the initial guess issue in Newton method can be effectively avoided. Two simulation cases were used to demonstrate the advantages and applicability of the proposed PT nonequilibrium method.

关键词: Nonequilibrium stage model, Pseudo-transient continuation, Distillation, Numerical simulation, Systems engineering

Jie Wu, Yiqing Luo, Xigang Yuan. A pseudo transient nonequilibrium method for rigorous simulation of multicomponent separation columns[J]. Chinese Journal of Chemical Engineering, 2023, 62(10): 57-64.

Jie Wu, Yiqing Luo, Xigang Yuan. A pseudo transient nonequilibrium method for rigorous simulation of multicomponent separation columns[J]. 中国化学工程学报, 2023, 62(10): 57-64.

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A pseudo transient nonequilibrium method for rigorous simulation of multicomponent separation columns

A pseudo transient nonequilibrium method for rigorous simulation of multicomponent separation columns

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