Optimization of reactive simulated moving bed systems with modulation of feed concentration for production of glycol ether ester

• Published in: Journal of Chromatography A Vol. 1360; pp. 196 - 208
• Main Authors: Agrawal, Gaurav, Oh, Jungmin, Sreedhar, Balamurali, Tie, Shan, Donaldson, Megan E., Frank, Timothy C., Schultz, Alfred K., Bommarius, Andreas S., Kawajiri, Yoshiaki
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 19.09.2014; Elsevier
• Subjects: Analytical chemistry; Chemistry; Chromatographic methods and physical methods associated with chromatography; Chromatography - instrumentation; Chromatography - methods; Exact sciences and technology; Modeling and optimization; Models, Chemical; Other chromatographic methods; Parameter estimation; Porosity; Propylene Glycols - chemical synthesis; Reactive separation; Simulated moving bed chromatography; Simulated moving bed chromatography; Parameter estimation; Reactive separation; Modeling and optimization; Simulated moving bed; Purification; Cationic resin; Ether; Preparative chromatography; Reaction product; Theoretical study; Liquid chromatography; Modeling; Esterification; Optimization; Ion exchange chromatography; Hydroxyether; Isolation; Kinetics; Acetic acid; Adsorbent; Mathematical model; Catalyst
• ISSN: 0021-9673; 1873-3778
• DOI: 10.1016/j.chroma.2014.07.080

•Concept of simulated moving bed reactor is extended to glycol ether ester production.•Mathematical model was developed and validated against single column experiments.•Feed modulation operation mode is proposed for simulated moving bed reactor.•Feed modulation operation is found to have higher productivity and product purity. In this article, we extend the simulated moving bed reactor (SMBR) mode of operation to the production of propylene glycol methyl ether acetate (DOWANOL™ PMA glycol ether) through the esterification of 1-methoxy-2-propanol (DOWANOL™ PM glycol ether) and acetic acid using AMBERLYST™ 15 as a catalyst and adsorbent. In addition, for the first time, we integrate the concept of modulation of the feed concentration (ModiCon) to SMBR operation. The performance of the conventional (constant feed) and ModiCon operation modes of SMBR are analyzed and compared. The SMBR processes are designed using a model based on a multi-objective optimization approach, where a transport dispersive model with a linear driving force for the adsorption rate has been used for modeling the SMBR system. The adsorption equilibrium and kinetics parameters are estimated from the batch and single column injection experiments by the inverse method. The multiple objectives are to maximize the production rate of DOWANOL™ PMA glycol ether, maximize the conversion of the esterification reaction and minimize the consumption of DOWANOL™ PM glycol ether which also acts as the desorbent in the chromatographic separation. It is shown that ModiCon achieves a higher productivity by 12–36% over the conventional operation with higher product purity and recovery.