Fine-tune simultaneous dearomatization, desulfurization and denitrogenation of liquid fuels with CO2-derived cyclic carbonates
EntityUAM. Departamento de Ingeniería Química
10.1016/j.fuel.2022.124005Fuel 321 (2022): 124005
Funded byThe authors are grateful to Comunidad de Madrid (project P2018/ EMT4348) and Ministerio de Economía y Competitividad of Spain (project PID2020-118259RB-I00) for its financial support and Centro de Computacion ´ Científica de la Universidad Autonoma ´ de Madrid (CCC) for its computational resources. E. Hern´ andez thanks Spanish Ministerio de Universidades for awarding an FPU grant FPU20/03198. Diego Rodríguez-Llorente thanks Ministerio de Ciencia, Innovacion ´ y Universidades for awarding an FPU grant (FPU18/01536)
SubjectsAspen Plus; COSMO-RS; Cyclic carbonates; Liquid–liquid extraction; Química
Rights© 2022 The Author(s)
Esta obra está bajo una licencia de Creative Commons Reconocimiento-NoComercial-SinObraDerivada 4.0 Internacional.
In this work, eight CO2-derived cyclic carbonates, namely ethylene carbonate (Eth-C), propylene carbonate (Pro-C), butylene carbonate (But-C), hexylene carbonate (Hex-C), cyclohexene carbonate (Cyc-C), styrene carbonate (Sty-C), glycerol carbonate (Gly-C) and (Chloromethyl)ethylene carbonate (Chl-C) were evaluated as solvents to mitigate residual aromatic content in liquid fuels by envisioning an efficient liquid–liquid extraction process, using benzene, thiophene and pyrrole as benchmark compounds for dearomatization, desulfurization and denitrogenation processes. After evaluating at molecular scale by COSMO-RS method (activity coefficients and excess enthalpies of aromatic-cyclic carbonate mixtures), predictions of phase equilibria of ternary systems involving n-heptane are carried out by COSMO-based/Aspen methodology for evaluating the extractive properties of studied cyclic carbonates. Then, computational findings are experimentally validated for the representative Pro-C case through multicomponent liquid–liquid equilibria. Finally, the complete separation process was simulated by COSMO-based/Aspen methodology to evaluate solvent losses in extraction and distillation units, energy consumption, and aromatic purity for process specifications aimed at enhancing gasoline purity and recovery. Main results suggest that Pro-C provides promising process performance at a very competitive solvent to feed (S/F) ratio and specific energy consumption, positioning cyclic carbonates for studied separation
Google Scholar:Navarro Tejedor, Pablo - Hernández Vizcaíno, María Elisa - Rodríguez Llorente, Diego - Maldonado López, Ignacio - Santiago Lorenzo, Rubén - Moya Álamo, Cristian - Belinchón Abenójar, Alejandro - Larriba, Marcos - Palomar Herrero, José Francisco
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