Reactive and non-reactive residue curve maps analysis to produce Butyl Lactate by catalytic distillation

• Published in: Chemical engineering and processing 2021-11, Vol.168, p.108558, Article 108558
• Main Authors: Velandia, Jessica J., García, César A., Céspedes, Mario A., Rodríguez, Gerardo, Gil, Iván D.
• Format: Article
• Language: English
• Subjects: Global optimization technique; Michelsen: material-stability method; Non-reactive residue curve maps; Reactive curve maps; Thermodynamic consistency
• ISSN: 0255-2701; 1873-3204
• DOI: 10.1016/j.cep.2021.108558

•The quaternary system of Lactic acid + Butanol + Butyl Lacate + Water was studied.•The Michelsen methodology was implemented in the algorithm for diagrams construction.•Global optimization technique was implemented to assure convergence in the algorithm.•Validation of the reactive residue curve maps by Serafimov's topological analysis.•Ternary and quaternary reactive residue diagrams in the butyl-lactate production. This work presents a novel methodology that combines the scattered information in the literature for the construction of residue curve maps through a global optimization technique. The synthesis of Butyl Lactate from Lactic Acid and 1-Butanol was considered as case study since this compound is increasingly used as green solvent, flavor in the food industry, and in pharmaceutical formulations. Initially, a review on reported experimental thermodynamic data for the system involved in the Butyl Lactate synthesis was done. Then, a validation of binary parameters was performed according to the NRTL activity model, which replicates properly the available information. The kinetic model of the system was validated, and the reactive curve maps were calculated at different Damköhler (Da) values. The model predicts different azeotropes at 5 and 101.325 kPa and the systems were topologically consistent according to the thermodynamic evaluation. Based on the analysis of residue curve maps, Butyl Lactate can be obtained in the bottom stream. Finally, a conceptual design to produce Butyl Lactate by reactive distillation was proposed by using the generated residue maps. [Display omitted]