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Synthesis of the Ti-Silicate Form of BEC Polymorph of B-Zeolite Assisted by Molecular Modeling

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Synthesis of the Ti-Silicate Form of BEC Polymorph of B-Zeolite Assisted by Molecular Modeling

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dc.contributor.author Moliner Marin, Manuel es_ES
dc.contributor.author Serna Merino, Pedro Manuel es_ES
dc.contributor.author Cantin Sanz, Angel es_ES
dc.contributor.author Sastre Navarro, German Ignacio es_ES
dc.contributor.author Díaz Cabañas, Mª José es_ES
dc.contributor.author Corma Canós, Avelino es_ES
dc.date.accessioned 2018-05-10T04:15:27Z
dc.date.available 2018-05-10T04:15:27Z
dc.date.issued 2008 es_ES
dc.identifier.issn 1932-7447 es_ES
dc.identifier.uri http://hdl.handle.net/10251/101668
dc.description This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://doi.org/10.1021/jp805400u Published Work, see http://pubs.acs.org/page/policy/articlesonrequest/index.html
dc.description.abstract [EN] The K(+) free pure silica form of polymorph C (BEC) of beta-zeolite has been synthesized with a cationic organic structure directing agent (SDA) that was predicted best, out of a series of nine potentials, by means of modeling techniques. On the bases of this synthesis method, the Ti-BEC zeolite has been obtained which owing to the pore topology and dimensions shows a higher epoxidation activity than the Ti-beta-polymorph either with H(2)O(2) or organic peroxides as oxidants. es_ES
dc.description.sponsorship The authors thank the CICYT for financial support (Project MAT 2006-14274-CO2-01). G.S. thanks "Centro de Calculo de la Universidad Politecnica de Valencia" for the use of their computational facilities. M.M. and P.S. thank ITQ for a scholarship. We also thank intramural project CRENATUM.
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 QUIMICA ORGANICA es_ES
dc.title Synthesis of the Ti-Silicate Form of BEC Polymorph of B-Zeolite Assisted by Molecular Modeling es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1021/jp805400u es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//MAT2006-14274-C02-01/ES/DISEÑO MOLECULAR DE NANOMATERIALES ESTRUCTURADOS ORGANICOS-INORGANICOS PARA SU APLICACION EN CATALISIS, SEPARACION DE GASES Y BIOMEDICA./ es_ES
dc.rights.accessRights Abierto 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 Química - Departament de Química es_ES
dc.description.bibliographicCitation Moliner Marin, M.; Serna Merino, PM.; Cantin Sanz, A.; Sastre Navarro, GI.; Díaz Cabañas, MJ.; Corma Canós, A. (2008). Synthesis of the Ti-Silicate Form of BEC Polymorph of B-Zeolite Assisted by Molecular Modeling. The Journal of Physical Chemistry C. 112(49):19547-19554. https://doi.org/10.1021/jp805400u es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://doi.org/10.1021/jp805400u es_ES
dc.description.upvformatpinicio 19547 es_ES
dc.description.upvformatpfin 19554 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 112 es_ES
dc.description.issue 49 es_ES
dc.relation.pasarela S\35057 es_ES
dc.contributor.funder Ministerio de Educación y Ciencia es_ES


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