Solvent-catalyst optimization of ionic liquid-based CO2 conversion to propylene carbonate: Laboratory validation and techno-economic analysis
EntityUAM. Departamento de Ingeniería Química
10.1016/j.jcou.2023.102417Journal of CO2 Utilization 69 (2023): 102417
Funded byThe authors are grateful to Ministerio de Ciencia e Innovacion ´ of Spain (project TED2021-129803A-I00) and Comunidad de Madrid (project P2018/EMT4348) for financial support and Centro de Computacion ´ Científica de la Universidad Autonoma ´ de Madrid for computational facilities. E. Hern´ andez thanks Spanish Ministerio de Universidades for awarding an FPU grant FPU20/03198. A. Belinchon ´ also thank thanks Spanish Ministerio de Universidades for awarding him FPI grant PRE2021–097533. R. Santiago thanks Ministerio Universidades for his Margarita Salas contract (CA1/RSUE/2021–00585)
ProjectGobierno de España. TED2021-129803A-I00
SubjectsCO conversion 2; Fatty alcohol, process simulation; Ionic liquid; Propylene carbonate; Química
Rights© 2023 The Author(s)
Esta obra está bajo una licencia de Creative Commons Reconocimiento-NoComercial-SinObraDerivada 4.0 Internacional.
Ionic liquids (ILs) have been widely suggested as efficient catalysts to produce propylene carbonate (PC) from CO2 and propylene oxide (PO). Recently, the use of liquid-liquid extraction (LLE) has been proposed to efficiently separate ILs from PC since it reduces energy consumption, with fatty alcohols when selecting hydrophobic ILs. However, the study of this reaction-separation system at experimental level is scarce. In addition, the solventcatalyst system design to improve the global process performance is a current challenge. This work develops an integrated experimental-computational multiscale approach to improve the PC production process by CO2 cycloaddition to PO using the IL [P66614][Br] as catalyst. Reaction yield and liquid-liquid equilibrium measurements were carried out for the experimental validation of the proposed catalytic/separation systems using different solvents (fatty alcohol and water). Process modelling and techno-economic analysis were performed using Aspen Plus for solvent-catalyst optimization, proceeding with an integrated iterative experimentalcomputational approach to decrease energy requirements and operating costs. It was found that the presence of solvents in the reaction affects conversion and selectivity of the reaction, with fatty alcohols increasing PC yield and enabling IL/PC separation, while water reduces PC selectivity. On the other hand, the presence of water in the process allows reducing electricity demands as well as vacuum requirements. It was possible to modulate fatty alcohol and water dosages to minimize energy consumption, vacuum requirements and utility costs. Optimal configurations have an energy consumption of approximately 0.6 kWh/kgPC and utility costs of 6.6 $/tPC
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Google Scholar:Hernández Muñoz, Elisa - Belinchón Abenójar, Alejandro - Santiago Lorenzo, Rubén - Moya Álamo, Cristian - Navarro Tejedor, Pablo - Palomar Herrero, José Francisco
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