- -

Synthesis of reaction-adapted zeolites as methanol-to-olefins catalysts with mimics of reaction intermediates as organic structure-directing agents

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Compartir/Enviar a

Citas

Estadísticas

  • Estadisticas de Uso

Synthesis of reaction-adapted zeolites as methanol-to-olefins catalysts with mimics of reaction intermediates as organic structure-directing agents

Mostrar el registro sencillo del ítem

Ficheros en el ítem

dc.contributor.author Li, Chengeng es_ES
dc.contributor.author Paris, Cecilia es_ES
dc.contributor.author Martínez-Triguero, Joaquín es_ES
dc.contributor.author Boronat Zaragoza, Mercedes es_ES
dc.contributor.author Moliner Marin, Manuel es_ES
dc.contributor.author Corma Canós, Avelino es_ES
dc.date.accessioned 2020-07-07T03:32:45Z
dc.date.available 2020-07-07T03:32:45Z
dc.date.issued 2018 es_ES
dc.identifier.uri http://hdl.handle.net/10251/147525
dc.description.abstract [EN] Catalysis with enzymes and zeolites have in common the presence of well-defined single active sites and pockets/cavities where the reaction transition states can be stabilized by longer-range interactions. We show here that for a complex reaction, such as the conversion of methanol-to-olefins (MTO), it is possible to synthesize reaction-adapted zeolites by using mimics of the key molecular species involved in the MTO mechanism. Effort has focused on the intermediates of the paring mechanism because the paring is less favoured energetically than the side-chain route. All the organic structure-directing agents based on intermediate mimics crystallize cage-based small-pore zeolitic materials, all of them capable of performing the MTO reaction. Among the zeolites obtained, RTH favours the whole reaction steps following the paring route and gives the highest propylene/ethylene ratio compared to traditional CHA-related zeolites (3.07 and 0.86, respectively). es_ES
dc.language Inglés es_ES
dc.publisher Nature Publishing Group es_ES
dc.relation.ispartof Nature Catalysis es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject.classification QUIMICA ORGANICA es_ES
dc.title Synthesis of reaction-adapted zeolites as methanol-to-olefins catalysts with mimics of reaction intermediates as organic structure-directing agents es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1038/s41929-018-0104-7 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/EC/H2020/671093/EU/MATching zeolite SYNthesis with CATalytic activity/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2015-71261-R/ES/DISEÑO RACIONAL DE MATERIALES ZEOLITICOS CON CENTROS METALICOS PARA SU APLICACION EN PROCESOS QUIMICOS SOSTENIBLES, MEDIOAMBIENTALES Y ENERGIAS RENOVABLES/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//SEV-2016-0683/ 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 Li, C.; Paris, C.; Martínez-Triguero, J.; Boronat Zaragoza, M.; Moliner Marin, M.; Corma Canós, A. (2018). Synthesis of reaction-adapted zeolites as methanol-to-olefins catalysts with mimics of reaction intermediates as organic structure-directing agents. Nature Catalysis. 1(7):547-554. https://doi.org/10.1038/s41929-018-0104-7 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://doi.org/10.1038/s41929-018-0104-7 es_ES
dc.description.upvformatpinicio 547 es_ES
dc.description.upvformatpfin 554 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 1 es_ES
dc.description.issue 7 es_ES
dc.identifier.eissn 2520-1158 es_ES
dc.relation.pasarela S\384110 es_ES
dc.contributor.funder China Scholarship Council es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
dc.description.references Stocker, M. Methanol-to-hydrocarbons: catalytic materials and their behavior. Micro. Mesopor. Mater. 29, 3–48 (1999). es_ES
dc.description.references Tian, P., Wei, Y., Ye, M. & Liu, Z. Methanol to olefins (MTO): from fundamentals to commercialization. ACS Catal. 5, 1922–1938 (2015). es_ES
dc.description.references Ilias, S. & Bhan, A. Mechanism of the catalytic conversion of methanol to hydrocarbons. ACS Catal. 3, 18–31 (2013). es_ES
dc.description.references Olsbye, U. et al. Conversion of methanol to hydrocarbons: how zeolite cavity and pore size controls product selectivity. Angew. Chem. Int. Ed. 24, 5810–5831 (2012). es_ES
dc.description.references Hemelsoet, K., Van der Mynsbrugge, J., De Wispelaere, K., Waroquier, M. & Van Speybroeck, V. Unraveling the reaction mechanisms governing methanol-to-olefins catalysis by theory and experiment. ChemPhysChem 14, 1526–1545 (2013). es_ES
dc.description.references Song, W., Haw, J. F., Nicholas, J. B. & Heneghan, C. S. Methylbenzenes are the organic reaction centers for methanol-to-olefin catalysis on HSAPO-34. J. Am. Chem. Soc. 122, 10726–10727 (2000). es_ES
dc.description.references Arstad, B. & Kolboe, S. The reactivity of molecules trapped within the SAPO-34 cavities in the methanol-to-hydrocarbons reaction. J. Am. Chem. Soc. 123, 8137–8138 (2001). es_ES
dc.description.references Xu, T. et al. Synthesis of a benzenium ion in a zeolite with use of a catalytic flow reactor. J. Am. Chem. Soc. 120, 4025–4026 (1998). es_ES
dc.description.references Song, W., Nicholas, J. B., Sassi, A. & Haw, J. F. Synthesis of the heptamethylbenzene cation in zeolite beta: in situ NMR and theory. Catal. Lett. 81, 49–53 (2002). es_ES
dc.description.references Xu, S. et al. Direct observation of cyclic carbenium ions and their role in the catalytic cycle of the metahnol-to-olefin reaction over chabazite zeolites. Angew. Chem. Int. Ed. 52, 11564–11568 (2013). es_ES
dc.description.references Chen, J. et al. Elucidating the olefin formation mechanism in the methanol to olefin reaction over AlPO-18 and SAPO-18. Catal. Sci. Tech. 4, 3268–3277 (2014). es_ES
dc.description.references Haw, J. F. et al. Roles for cyclopentenyl cations in the synthesis of hydrocarbons from methanol on zeolite catalyst HZSM-5. J. Am. Chem. Soc. 122, 4763–4775 (2000). es_ES
dc.description.references Svelle, S. et al. Conversion of methanol into hydrocarbons over zeolite H-ZSM-5: ethene formation is mechanistically separated from the formation of higher alkenes. J. Am. Chem. Soc. 128, 14770–14771 (2006). es_ES
dc.description.references Teketel, S., Olsbye, U., Lillerud, K. P., Beato, P. & S., S. Selectivity control through fundamental mechanistic insight in the conversion of methanol to hydrocarbons over zeolites. Micro. Mesopor. Mater. 136, 33–41 (2010). es_ES
dc.description.references Zhang, M. et al. Methanol conversion on ZSM-22, ZSM-35 and ZSM-5 zeolites: effects of 10-membered ring zeolite structures on methylcyclopentenyl cations and dual cycle mechanism. RSC Adv. 6, 95855–95864 (2016). es_ES
dc.description.references Sassi, A. et al. Methylbenzene chemistry on zeolite HBeta: multiple insights into methanol-to-olefin catalysis. J. Phys. Chem. B 106, 2294–2303 (2002). es_ES
dc.description.references Sassi, A., Wildman, M. A. & Haw, J. F. Reactions of butylbenzene isomers on zeolite HBeta: methanol-to-olefins hydrocarbon pool chemistry and secondary reactions of olefins. J. Phys. Chem. B 106, 8768–8773 (2002). es_ES
dc.description.references Bjørgen, M., Olsbye, U., Petersen, D. & Kolboe, S. The methanol-to-hydrocarbons reaction: insight into the reaction mechanism from [12C]benzene and [13C]methanol coreactions over zeolite H-beta. J. Catal. 221, 1–10 (2004). es_ES
dc.description.references McCann, D. M. et al. A complete catalytic cycle for supramolecular methanol-to-olefins conversion by linking theory with experiment. Angew. Chem. Int. Ed. 47, 5179–5182 (2008). es_ES
dc.description.references Arstad, B., Kolboe, S. & Swang, O. Theoretical study of the heptamethylbenzenium ion. intramolecular isomerizations and C2, C3, C4 alkene elimination. J. Phys. Chem. A 109, 8914–8922 (2005). es_ES
dc.description.references De Wispelaere, K., Hemelsoet, K., Waroquier, M. & Van Speybroeck, V. Complete low-barrier side-chain route for olefin formation during methanol conversion in H-SAPO-34. J. Catal. 305, 76–80 (2013). es_ES
dc.description.references Wang, C. M., Wang, Y. D. & Xie, Z. K. Verification of the dual cycle mechanism for methanol-to-olefin conversion in HSAPO-34: a methylbenzene-based cycle from DFT calculations. Catal. Sci. Technol. 4, 2631–2638 (2014). es_ES
dc.description.references Wang, C. M., Wang, Y. D., Liu, H. X., Xie, Z. K. & Liu, Z. P. Theoretical insight into the minor role of paring mechanism in the methanol-to-olefins conversion within HSAPO-34 catalyst. Micro. Mesopor. Mater. 158, 264–271 (2012). es_ES
dc.description.references Ilias, S. & Bhan, A. The mechanism of aromatic dealkylation in methanol-to-hydrocarbons conversion on H-ZSM-5: What are the aromatic precursors to light olefins? J. Catal. 311, 6–16 (2014). es_ES
dc.description.references Erichsen, M. W. et al. Conclusive evidence for two unimolecular pathways to zeolite-catalyzed de-alkylation of the heptamethylbenzenium cation. ChemCatChem 7, 4143–4147 (2015). es_ES
dc.description.references Bhawe, Y. et al. Effect of cage size on the selective conversion of methanol to light olefins. ACS Catal. 2, 2490–2495 (2012). es_ES
dc.description.references Kang, J. H. et al. Further studies on how the nature of zeolite cavities that are bounded by small pores influences the conversion of methanol to light olefins. ChemPhysChem 19, 412–419 (2018). es_ES
dc.description.references Martin, N. et al. Nanocrystalline SSZ-39 zeolite as an efficient catalyst for the methanol-to-olefin (MTO) process. Chem. Commun. 52, 6072–6075 (2016). es_ES
dc.description.references Dusselier, M., Deimund, M. A., Schmidt, J. E. & Davis, M. E. Methanol-to-olefins catalysis with hydrothermally treated zeolite SSZ-39. ACS Catal. 5, 6078–6085 (2015). es_ES
dc.description.references Yokoi, T., Yoshioka, M., Imai, H. & Tatsumi, T. Diversification of RTH-type zeolite and its catalytic application. Angew. Chem. Int. Ed. 48, 9884–9887 (2009). es_ES
dc.description.references Ji, Y., Deimund, M. A., Bhawe, Y. & Davis, M. E. Organic-free synthesis of CHA-type zeolite catalysts for the methanol-to-olefins reaction. ACS Catal. 5, 4456–4465 (2015). es_ES
dc.description.references Liu, M. et al. Differences in Al distribution and acidic properties between RTH-type zeolites synthesized with OSDAs and without OSDAs. Phys. Chem. Chem. Phys. 16, 4155–4164 (2014). es_ES
dc.description.references Gallego, E. M. et al. “Ab initio” synthesis of zeolites for preestablished catalytic reactions. Science 355, 1051–1054 (2017). es_ES
dc.description.references Zones, S. I. & Nakagawa, Y. Use of modified zeolites as reagents influencing nucleation in zeolite synthesis. Stud. Surf. Sci. Catal. 97, 45–52 (1995). es_ES
dc.description.references Li, C., Moliner, M. & Corma, A. Building zeolites from pre-crystallized units: nanoscale architecture. Angew. Chem. Int. Ed. https://doi.org/10.1002/anie.201711422 (2018). es_ES
dc.description.references Zones, S. I. Zeolite SSZ-13 and its method of preparation. US Patent 4,544,538 (1985). es_ES
dc.description.references Li, Z., Navarro, M. T., Martínez-Triguero, J., Yu, J. & Corma, A. Synthesis of nano-SSZ-13 and its application in the reaction of methanol to olefins. Catal. Sci. Technol. 6, 5856–5863 (2016). es_ES
dc.description.references Kumar, M., Luo, H., Román-Leshkov, Y. & Rimer, J. D. SSZ-13 crystallization by particle attachment and deterministic pathways to crystal size control. J. Am. Chem. Soc. 137, 13007–13017 (2015). es_ES
dc.description.references Martínez-Franco, R., Cantin, A., Moliner, M. & Corma, A. Synthesis of the small pore silicoaluminophosphate STA-6 by using supramolecular self-assembled organic structure directing agents. Chem. Mater. 26, 4346–4353 (2014). es_ES
dc.description.references Schmidt, J. E., Deimund, M. A., Xie, D. & Davis, M. E. Synthesis of RTH-type zeolites using a diverse library of imidazolium cations. Chem. Mater. 27, 3756–3762 (2015). es_ES
dc.description.references Moliner, M., Franch, C., Palomares, E., Grill, M. & Corma, A. Cu–SSZ-39, an active and hydrothermally stable catalyst for the selective catalytic reduction of NOx. Chem. Commun. 48, 8264–8266 (2012). es_ES
dc.description.references Zhao, Y. & Truhlar, D. G. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theor. Chem. Acc. 120, 215–241 (2008). es_ES
dc.description.references Ditchfield, R., Hehre, W. J. & Pople, J. A. Self-consistent molecular orbital methods. 9. Extended Gaussian-type basis for molecular-orbital studies of organic molecules. J. Chem. Phys. 54, 724–728 (1971). es_ES
dc.description.references Hehre, W. J., Ditchfield, R. & Pople, J. A. Self-consistent molecular orbital methods. 12. Further extensions of Gaussian-type basis sets for use in molecular-orbital studies of organic-molecules. J. Chem. Phys. 56, 2257–2261 (1972). es_ES
dc.description.references Frisch, M. J. et al. Gaussian 09, Revision C.01. (Gaussian, Wallingford, 2009). es_ES
dc.description.references Van Speybroeck, V. et al. First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study. Chem. Soc. Rev. 43, 7326–7357 (2014). es_ES


Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem