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dc.contributor.authorLópez, Pablo
dc.contributor.authorQuintanilla Gómez, María Asunción 
dc.contributor.authorSalazar-Aguilar, Alma D.
dc.contributor.authorVega-Díaz, Sofía M.
dc.contributor.authorDíaz-Herrezuelo, Irene
dc.contributor.authorBelmonte, Manuel
dc.contributor.authorCasas de Pedro, Jose Antonio
dc.contributor.otherUAM. Departamento de Ingeniería Químicaes_ES
dc.date.accessioned2022-11-08T15:11:10Z
dc.date.available2022-11-08T15:11:10Z
dc.date.issued2022-01-18
dc.identifier.citationCatalysts 12.2 (2022): 112es_ES
dc.identifier.issn2073-4344es_ES
dc.identifier.urihttp://hdl.handle.net/10486/705120
dc.description.abstractThe aim of this work is to evaluate the performance of the stirring 3D Fe/Al2O3 monolithic reactor in batch operation applied to the liquid-phase hydroxylation of phenol by hydrogen peroxide (H2O2 ). An experimental and numerical investigation was carried out at the following operating conditions: CPHENOL,0 = 0.33 M, CH2O2,0 = 0.33 M, T = 75–95◦C, P = 1 atm, ω = 200–500 rpm and WCAT ~ 1.1 g. The kinetic model described the consumption of the H2O2 by a zero-order power-law equation, while the phenol hydroxylation and catechol and hydroquinone production by Eley–Rideal model; the rate determining step was the reaction between the adsorbed H2O2, phenol in solution with two active sites involved. The 3D CFD model, coupling the conservation of mass, momentum and species together with the reaction kinetic equations, was experimentally validated. It demonstrated a laminar flow characterized by the presence of an annular zone located inside and surrounding the monoliths (u = 40–80 mm s−1 ) and a central vortex with very low velocities (u = 3.5–8 mm s−1 ). The simulation study showed the increasing phenol selectivity to dihydroxybenzenes by the reaction temperature, while the initial H2O2 concentration mainly affects the phenol conversiones_ES
dc.format.extent18 pag.es_ES
dc.format.mimetypeapplication/pdfes_ES
dc.language.isoenges_ES
dc.publisherMDPIes_ES
dc.relation.ispartofCatalystses_ES
dc.rights© 2022 by the authorses_ES
dc.subject.otherCFD simulationes_ES
dc.subject.otherDihydroxybenzeneses_ES
dc.subject.otherKinetic modeles_ES
dc.subject.otherLaminar flow stirred tankes_ES
dc.subject.otherMonolithic stirrer reactorses_ES
dc.subject.otherPhenol hydroxylationes_ES
dc.subject.otherRobocastinges_ES
dc.titleMonolithic stirrer reactors for the sustainable production of dihydroxybenzenes over 3D printed Fe/γ-Al2O3 monoliths: kinetic modeling and CFD simulationes_ES
dc.typearticlees_ES
dc.subject.ecienciaQuímicaes_ES
dc.relation.publisherversionhttps://doi.org/10.3390/catal12020112es_ES
dc.identifier.doi10.3390/catal12020112es_ES
dc.identifier.publicationfirstpage1es_ES
dc.identifier.publicationissue2es_ES
dc.identifier.publicationlastpage18es_ES
dc.identifier.publicationvolume12es_ES
dc.relation.projectIDGobierno de España. RTI2018-095052-BI00es_ES
dc.relation.projectIDComunidad de Madrid. 2018/EMT-4341/REMTAVARESes_ES
dc.type.versioninfo:eu-repo/semantics/publishedVersiones_ES
dc.rights.ccReconocimientoes_ES
dc.rights.accessRightsopenAccesses_ES
dc.facultadUAMFacultad de Cienciases_ES


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