COSMO-based/Aspen Plus process simulation of the aromatic extraction from pyrolysis gasoline using the {[4empy][NTf2] + [emim][DCA]} ionic liquid mixture

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dc.contributor.author Larriba, Marcos
dc.contributor.author Riva, Juan de
dc.contributor.author Navarro, Pablo
dc.contributor.author Moreno, Daniel
dc.contributor.author Delgado-Mellado, Noemí
dc.contributor.author García, Julián
dc.contributor.author Ferro, Víctor R.
dc.contributor.author Rodríguez, Francisco
dc.contributor.author Palomar, José
dc.contributor.other UAM. Departamento de Química Física Aplicada es_ES
dc.date.accessioned 2018-09-10T12:49:42Z
dc.date.available 2018-09-10T12:49:42Z
dc.date.issued 2017-09-01
dc.identifier.citation Separation and Purification Technology 190 (2018): 211-227 es_ES
dc.identifier.issn 1383-5866 (print) es_ES
dc.identifier.issn 1873-3794 (online) es_ES
dc.identifier.uri http://hdl.handle.net/10486/684837
dc.description.abstract The ionic liquids (ILs) have been widely studied as potential replacements of conventional solvents in the extraction of aromatic hydrocarbons from alkanes. However, most of the literature is focused in obtaining liquid-liquid equilibria experimental data without studying the complete extraction and IL regeneration process. In this paper, a computer-aided methodology combining COSMO-based molecular simulations and Aspen Plus process simulations has been used to study the extraction process of aromatic hydrocarbons from pyrolysis gasoline employing a binary mixture of 1-ethyl-4-methylpyridinium bis(trifluoromethylsulfonyl)imide ([4empy][NTf2]) and the 1-ethyl-3-methylimidazolium dicyanamide ([emim][DCA]) ILs as solvent. An extensive comparison (more than 600 points) between experimental data and the predictions obtained by the COSMO-based thermodynamic model of liquid–liquid and vapor–liquid equilibria and ILs physical properties was made for validation purposes. Process simulations were performed in three system configurations: with one, two, or three flash distillations in the IL recovery section. The potential advantage of using binary IL-IL mixture as extracting solvent was studied in the whole range of composition. The configuration with three flash distillations and the binary IL-IL mixture with a 75% of [4empy][NTf2] were selected as the optimal conditions to increase aromatic recovery and purity, improving the separation performance respect to the neat ILs es_ES
dc.description.sponsorship The authors are grateful to Ministerio de Economía y Competitividad (MINECO) of Spain for financial support of Projects CTQ2014-52288-R and CTQ2014–53655-R and to Comunidad Autónoma de Madrid for the Project S2013/MAE-2800. Noemí Delgado-Mellado also thanks MINECO for awarding them an FPI grant (Reference BES–2015–072855) and Marcos Larriba also thanks MINECO for awarding him a Juan de la Cierva-Formación Contract (Reference FJCI-2015-25343). Pablo Navarro thanks Fundação para a Ciência e a Tecnologia for awarding him a postdoctoral grant (Reference SFRH/BPD/117084/2016). es_ES
dc.format.extent 47 pag. es_ES
dc.format.mimetype application/pdf es_ES
dc.language.iso eng es_ES
dc.publisher Elsevier B.V. es_ES
dc.relation.ispartof Separation and Purification Technology es_ES
dc.rights © 2017 Elsevier B.V. es_ES
dc.subject.other Aromatic-aliphatic separation es_ES
dc.subject.other Ionic liquids es_ES
dc.subject.other Aspen Plus es_ES
dc.subject.other COSMO-RS es_ES
dc.subject.other Process simulation es_ES
dc.title COSMO-based/Aspen Plus process simulation of the aromatic extraction from pyrolysis gasoline using the {[4empy][NTf2] + [emim][DCA]} ionic liquid mixture es_ES
dc.type article es_ES
dc.subject.eciencia Física es_ES
dc.subject.eciencia Química es_ES
dc.date.embargoend 2019-09-01
dc.relation.publisherversion https://doi.org/10.1016/j.seppur.2017.08.062 es_ES
dc.identifier.doi 10.1016/j.seppur.2017.08.062 es_ES
dc.identifier.publicationfirstpage 211 es_ES
dc.identifier.publicationissue 190 es_ES
dc.identifier.publicationlastpage 227 es_ES
dc.relation.projectID Gobierno de España. CTQ2014-52288-R es_ES
dc.relation.projectID Gobierno de España. CTQ2014–53655-R es_ES
dc.relation.projectID Comunidad de Madrid. S2013/MAE-2800/LIQUORGAS es_ES
dc.relation.projectID Gobierno de España. BES–2015–072855 es_ES
dc.relation.projectID Gobierno de España. FJCI-2015-25343 es_ES
dc.type.version info:eu-repo/semantics/acceptedVersion es_ES
dc.rights.accessRights openAccess es_ES
dc.authorUAM Ferro Fernández, Víctor Roberto (259102)


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