Design of thermally coupled reactive distillation schemes for triethyl citrate production using economic and controllability criteria

Santaella, Miguel A.; Jiménez, L.; Orjuela, Álvaro; Segovia‐Hernández, Juan Gabriel

doi:10.1016/j.cej.2017.07.015

Cited by 50 publications

(35 citation statements)

References 24 publications

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“…Because the number of trays in a distillation column is inversely proportional to reflux flow for a given separation, the number of trays was optimized for the total annual cost (TAC) including investment and operating costs. The differential evolution technique , was applied for optimization. The parameters used for the optimization are given in Tab.…”

Section: Process Designmentioning

confidence: 99%

Molecular Simulation‐Assisted Solvent Selection for Separation of 1,2,4‐Trimethylbenzene

Cho

Kim

2018

Chem Eng & Technol

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Extractive distillation is an alternative for processes where normal distillation is difficult, such as separation of close‐boiling mixtures, but solvent selection for distillation is laborious, and its selection pool is narrow. An innovative selection process using molecular simulation is proposed, and the performance of the selected solvent, 1,2,4‐trichlorobenzene, for the separation of 1,2,4‐trimethylbenzene from a C9 mixture is reviewed. The proposed process requires less investment and leads to lower operating expenses than the conventional two‐column process. The computed vapor‐liquid equilibrium determined from the molecular simulation is close to the HYSYS estimation in two ternary systems.

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Section: Process Designmentioning

confidence: 99%

Molecular Simulation‐Assisted Solvent Selection for Separation of 1,2,4‐Trimethylbenzene

Cho

Kim

2018

Chem Eng & Technol

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“…Both approaches have tackled the global optimization problems for intensified processes (Floudas and Gounaris, 2009;Ricardez-Sandoval et al, 2009;Yuan et al, 2012;Segovia-Hernández et al, 2015). In particular, randomization approaches are increasing their popularity due to their relatively easy implementation in combination with software frameworks (Cabrera-Ruiz et al, 2012;Vazquez-Castillo et al, 2009;Gitizadeh, et al, 2013;Santaella et al, 2014). As both approaches show advantages in the disadvantages with respect to each other, hybrid optimization has been suggested as a way to complement each other (Grossmann and Westerberg, 2000).…”

Section: Introductionmentioning

confidence: 99%

Improvement of the Optimal Design Procedure Using Randomized Algorithm and Process Simulators

2021

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Though a global optimization procedure using a randomized algorithm and a commercial process simulator is relatively easy to implement for complex design problems (i.e., intensified design processes), a dominant problem is their heavy computation load. As the process simulation is repeatedly executed to calculate the objective function, it is inevitable to spend long computation time to derive the optimal solution. Also, the randomized algorithms consider the treatment of all variables as continuous. Thus, the reduction of the number of iterations is crucial for such optimization procedures that include integer variables. In this work, an estimation procedure of the objective function having integer design variables is proposed. In the proposed procedure, the values of the objective function at the nodes of hyper-triangle that includes the suggested next search point are used to estimate the objective function, at the same time normalization of the design optimization variables is recommended. The procedure was implemented on the simulated annealing stochastic algorithm with a trivial case of a binary mixture in order to know the optimal solution and compare the traditional optimizations procedures and the proposed one. The proposed procedure show improvement not only for reducing the number iterations, but also for an increase of accuracy of finding the optimal solution.

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“…In recent years, reactive distillation has been widely studied due to its simple process, low energy consumption, and improved product purity and selectivity. [ 21–27 ] For example, Lee et al [ 28 ] studied the thermodynamic and kinetic parameters of n ‐butyl levulinate synthesized by reactive distillation. Álvarez‐Contreras et al [ 29 ] selectively synthesized ethyl methyl carbonate by catalytic reactive distillation.…”

Section: Introductionmentioning

confidence: 99%

Kinetics and catalytic distillation simulation for the heterogeneously catalytic synthesis of imine

et al. 2021

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(2‐methyl‐6‐ethylphenyl)‐1‐methoxypropyl‐2‐imine (MEMI) is an important intermediate for the synthesis of commercial pesticide S‐metolachlor. However, the research on heterogeneously catalytic kinetics of MEMI, and further the catalytic distillation simulation aiming at continuous operation, have never been reported. Herein, the catalytic kinetics for the synthesis of MEMI by HPW/Al‐MCM‐41 have been systematically investigated, and further fitted by using a pseudo‐homogeneous kinetic model, based on which, the reaction equilibrium constant, activation energy, and rate constant are obtained. Furthermore, simulation of the continuous process of MEMI synthesis was carried out using the software Aspen Plus V10. Sensitivity analysis of operating parameters such as feed stage, distillation rate, number of reactive theoretical stages, and the best operating conditions were also obtained. An excellent product purity (>98.9%) of MEMI could be achieved when operated at the optimum conditions. Compared with the batch method, catalytic distillation provided continuous synthesis of MEMI, and the reaction was more thorough, achieving process integration and optimization. Our results provide substantial theoretical and empirical supports for the industrial synthesis of MEMI.

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Design of thermally coupled reactive distillation schemes for triethyl citrate production using economic and controllability criteria

Cited by 50 publications

References 24 publications

Molecular Simulation‐Assisted Solvent Selection for Separation of 1,2,4‐Trimethylbenzene

Molecular Simulation‐Assisted Solvent Selection for Separation of 1,2,4‐Trimethylbenzene

Improvement of the Optimal Design Procedure Using Randomized Algorithm and Process Simulators

Kinetics and catalytic distillation simulation for the heterogeneously catalytic synthesis of imine

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