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Insights into Adsorption of Linear, Monobranched, and Dibranched Alkanes on Pure Silica STW Zeolite as a Promising Material for Their Separation

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Insights into Adsorption of Linear, Monobranched, and Dibranched Alkanes on Pure Silica STW Zeolite as a Promising Material for Their Separation

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dc.contributor.author Pérez-Botella, Eduardo es_ES
dc.contributor.author Misturini, Alechania es_ES
dc.contributor.author Sala-Gascon, Andres es_ES
dc.contributor.author Palomino Roca, Miguel es_ES
dc.contributor.author Corma Canós, Avelino es_ES
dc.contributor.author SASTRE NAVARRO, GERMAN IGNACIO es_ES
dc.contributor.author Valencia Valencia, Susana es_ES
dc.contributor.author Rey Garcia, Fernando es_ES
dc.date.accessioned 2021-11-05T12:27:28Z
dc.date.available 2021-11-05T12:27:28Z
dc.date.issued 2020-12-10 es_ES
dc.identifier.issn 1932-7447 es_ES
dc.identifier.uri http://hdl.handle.net/10251/176092
dc.description.abstract [EN] The adsorption of linear, monobranched and dibranched saturated hydrocarbons in the gasoline range has been studied on pure silica STW zeolite (Si-STW) by using pentane, hexane, and heptane isomers as model adsorbates. Experimental single-component adsorption isotherms and kinetic measurements together with configurational bias Monte Carlo (CBMC) and molecular dynamics (MD) simulations were carried out. Significant differences in both the equilibrium adsorption and especially the adsorption kinetics were found, which suggests that the separation of the quaternary-carbon dibranched isomer is feasible. The adsorption capacities and selectivities surpass those of pure silica MFI (Si-MFI), considered as reference. Altogether, Si-STW is presented as a promising adsorbent for increasing the octane number (ON) of the hydroisomerization product by selectively excluding quaternary-carbon dibranched hydrocarbons. es_ES
dc.description.sponsorship We acknowledge the Spanish Ministry of Sciences, Innovation and Universities (MCIU), State Research Agency (AEI), and the European Fund for Regional Development (FEDER) for their funding via project RTI2018-101784-B-I00 and Program Severo Ochoa SEV-2016-0683. A.S. thanks the MCIU for his grant BES-2016-078684. E.P.B. thanks the MCIU for his grant (FPU15/01602). A.M. thanks the Generalitat Valenciana for a predoctoral fellowship GRISOLIAP/2019/084. A.M. and G.S. thank ASIC-UPV for the computational facilities. The Electron Microscopy Service of the UPV is acknowledged for their help in sample characterization. es_ES
dc.language Inglés es_ES
dc.publisher American Chemical Society es_ES
dc.relation.ispartof The Journal of Physical Chemistry C es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject.classification INGENIERIA QUIMICA es_ES
dc.subject.classification QUIMICA ORGANICA es_ES
dc.title Insights into Adsorption of Linear, Monobranched, and Dibranched Alkanes on Pure Silica STW Zeolite as a Promising Material for Their Separation es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1021/acs.jpcc.0c08517 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//GRISOLIAP%2F2019%2F084/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MCIU//BES-2016-078684/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI//RTI2018-101784-B-I00//NUEVOS MATERIALES ZEOLITICOS PARA PROCESOS DE SEPARACION SELECTIVA DE GASES, APLICACIONES MEDIOAMBIENTALES Y CONSERVACION DE ALIMENTOS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MECD//FPU15%2F01602//FPU15/01602/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//SEV-2016-0683//Programa Estatal de Fomento de la Investigación Científica y Técnica de Excelencia/ es_ES
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Ingeniería Química y Nuclear - Departament d'Enginyeria Química i Nuclear es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Química - Departament de Química es_ES
dc.description.bibliographicCitation Pérez-Botella, E.; Misturini, A.; Sala-Gascon, A.; Palomino Roca, M.; Corma Canós, A.; Sastre Navarro, GI.; Valencia Valencia, S.... (2020). Insights into Adsorption of Linear, Monobranched, and Dibranched Alkanes on Pure Silica STW Zeolite as a Promising Material for Their Separation. The Journal of Physical Chemistry C. 124(49):26821-26829. https://doi.org/10.1021/acs.jpcc.0c08517 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1021/acs.jpcc.0c08517 es_ES
dc.description.upvformatpinicio 26821 es_ES
dc.description.upvformatpfin 26829 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 124 es_ES
dc.description.issue 49 es_ES
dc.relation.pasarela S\422743 es_ES
dc.contributor.funder Generalitat Valenciana es_ES
dc.contributor.funder Agencia Estatal de Investigación es_ES
dc.contributor.funder European Regional Development Fund es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
dc.contributor.funder Ministerio de Educación, Cultura y Deporte es_ES
dc.contributor.funder Ministerio de Ciencia, Innovación y Universidades es_ES


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