A rate-based method for dynamic analysis and optimal design of reactive extraction: n-Hexyl acetate esterification as an example

doi:10.1016/j.cjche.2019.04.019

Abstract

Abstract: The dynamic analysis and optimal design of reactive extraction are challenging due to high nonlinearity of model equations and tough decision of judging criteria. In this work, a dynamic rate-based method is developed on gPROMS platform to get easy access to the solutions of reactive extraction with phase splitting. Based on rigorous criteria, dynamic analysis from initial state to final equilibrium (e.g., evolution of phase composition, mass transfer rate and reaction rate) and optimal design of operating conditions (e.g., extractant dosage and feed molar ratio) are achieved. To illustrate the method, the esterification of n-hexyl acetate is taken as an example. The approach proves to be reliable in the analysis and optimization of the exemplified system, which provides instructive reference for further process design and simulation of reactive extraction.

Key words: Reactive extraction, Dynamic rate-based method, Optimal design, Process simulation, n-Hexyl acetate esterification

摘要： The dynamic analysis and optimal design of reactive extraction are challenging due to high nonlinearity of model equations and tough decision of judging criteria. In this work, a dynamic rate-based method is developed on gPROMS platform to get easy access to the solutions of reactive extraction with phase splitting. Based on rigorous criteria, dynamic analysis from initial state to final equilibrium (e.g., evolution of phase composition, mass transfer rate and reaction rate) and optimal design of operating conditions (e.g., extractant dosage and feed molar ratio) are achieved. To illustrate the method, the esterification of n-hexyl acetate is taken as an example. The approach proves to be reliable in the analysis and optimization of the exemplified system, which provides instructive reference for further process design and simulation of reactive extraction.

关键词: Reactive extraction, Dynamic rate-based method, Optimal design, Process simulation, n-Hexyl acetate esterification

Xutao Hu, Hao Qin, Biao Hu, Hongye Cheng, Lifang Chen, Zhiwen Qi. A rate-based method for dynamic analysis and optimal design of reactive extraction: n-Hexyl acetate esterification as an example[J]. Chinese Journal of Chemical Engineering, 2020, 28(1): 76-83.

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