Design of hybrid reactive-extractive distillation for separation of azeotropic ternary mixture using a systematic optimization framework

•Pseudo-transient continuation models are proposed for reactive distillation systems.•Systematic framework is developed for optimizing reactive-extractive distillation.•Substantial reductions in total annual costs are achieved. Hybrid reactive-extractive distillation (RED) has been considered as a p...

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Veröffentlicht in:Separation and purification technology Jg. 369; S. 132805
Hauptverfasser: Liu, Chao, Karagoz, Ali, Alqusair, Omar, Ma, Yingjie, Xiao, Xin, Li, Jie
Format: Journal Article
Sprache:Englisch
Veröffentlicht: Elsevier B.V 07.10.2025
Schlagworte:
Azeotropic separation
Extractive distillation
Feasible path-based algorithm
Mixed-integer nonlinear programming
Process intensification
Reactive distillation
Extractive distillation
EDC
SRC
PRI
Azeotropic separation
EtOH
MESH
SLSQP
DCRED
Reactive distillation
RDC
TBA
THF
Mixed-integer nonlinear programming
REDC
GA
Feasible path-based algorithm
TCRED
REDWC
ED
PSD
EG
MINLP
TOC
Process intensification
EO
ACM
PSO
TCPSD
RED
RD
SQP
TCC
TAC
PTC
ISSN:1383-5866
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Zusammenfassung:•Pseudo-transient continuation models are proposed for reactive distillation systems.•Systematic framework is developed for optimizing reactive-extractive distillation.•Substantial reductions in total annual costs are achieved. Hybrid reactive-extractive distillation (RED) has been considered as a promising approach for the separation of ternary azeotropic mixtures that are widely existing in the chemical industry, due to its high energy efficiency. The optimal design of RED is quite challenging, primarily due to the problem’s inherent complexity involving both reactive and extractive distillation processes with recycle streams. Mathematical modeling of RED using rigorous models introduces highly nonlinear and nonconvex terms, which are difficult to optimize. This work proposes a systematic optimization framework to address these challenges by integrating advanced modeling, simulation, and optimization techniques. First, we develop a novel mixed-integer nonlinear programming (MINLP) optimization problem in which the pseudo-transient continuation technique is employed to construct a pseudo-transient continuation reactive distillation model in an equation-oriented environment to represent column sections, condensers, and reboilers. Our previously proposed feasible path-based branch and bound algorithm is then employed to solve this difficult MINLP problem. Given the presence of recycle streams within the process, an open-loop MINLP optimization problem is first solved to achieve an optimal design based on product specifications, followed by a closed-loop nonlinear programming optimization problem for a fixed column structure to reduce the computational effort. The design of triple-column reactive-extractive distillation (TCRED) and double-column reactive-extractive distillation (DCRED) processes in three examples demonstrates that the proposed framework enables efficient RED process design, which can reduce total annualized cost by 3.5% to 25.1% compared to existing studies.
ISSN:1383-5866
DOI:10.1016/j.seppur.2025.132805