Model-based design and experimental validation of simulated moving bed reactor for production of glycol ether ester

• Published in: Chemical engineering journal (Lausanne, Switzerland : 1996) Vol. 301; pp. 188 - 199
• Main Authors: Tie, Shan, Sreedhar, Balamurali, Agrawal, Gaurav, Oh, Jungmin, Donaldson, Megan, Frank, Timothy, Schultz, Alfred, Bommarius, Andreas, Kawajiri, Yoshiaki
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.10.2016
• Subjects: Acetates; Computer simulation; Conversion; Esterification; Ethers; Experimental validation; Glycol ether ester; Mathematical models; Model simulation and optimization; Optimization; Parameter estimation; Reactors; Simulated moving bed reactor; Glycol ether ester; Parameter estimation; Experimental validation; Model simulation and optimization; Simulated moving bed reactor
• ISSN: 1385-8947; 1873-3212
• DOI: 10.1016/j.cej.2016.04.062

•A model-based approach is used to optimize the SMBR operation.•Production rate of SMBR is maximized for a given conversion.•Model parameters are recalculated using three distinct conversion experiments.•Model’s predictive accuracy is verified outside the experimental conversion range. This work proposes a practical and systematic model-based approach to identify the optimal operating conditions for a simulated moving bed reactor (SMBR). The SMBR operation is applied to an industrial case study for the continuous production of a solvent, propylene glycol methyl ether acetate (DOWANOL™ PMA), which is produced through an acid-catalyzed esterification reaction of 1-methoxy-2-propanol and acetic acid. The model-based approach is demonstrated by lab-scale SMBR experiments. A multi-objective optimization problem was formulated for developing an SMBR process to maximize the production rate of PMA and the conversion of the esterification reaction simultaneously. In this study, this optimization problem is solved using the epsilon-constrained method and a Pareto plot is presented. The solutions that corresponded to three different values of conversion, 70%, 80%, and 85%, are experimentally validated. The SMBR model that was developed from batch kinetic and single column chromatography experiments demonstrates reasonable agreement with the experimental results. Furthermore, the SMBR experimental data was used to correct the parameters in the model. A validation study at a higher conversion of 95% demonstrates improved predictability of the corrected parameters.