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Listar por autor "Ferri Vicedo, Pau"

Mostrando ítems 1-8 de 8

Ab initio design of efficient zeolite catalysts for methanol and hydrocarbons conversion

Ferri Vicedo, Pau (Universitat Politècnica de València, 2023-05-22)

[ES] Toda esta disertación ha utilizado la química computacional como herramienta fundamental para el análisis científico. Por ello, en el Capítulo 2 se explican los modelos y métodos teóricos sobre este tema. La primera ...
Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others

Ferri-Vicedo, Pau; Li, Chengeng; Schwalbe-Koda, Daniel; Xie, Mingrou; Moliner Marin, Manuel; Gomez-Bombarelli, Rafael; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (Nature Publishing Group, 2023-05-19)

[EN] Approaching the level of molecular recognition of enzymes with solid catalysts is a challenging goal, achieved in this work for the competing transalkylation and disproportionation of diethylbenzene catalyzed by acid ...
Chemical and Structural Parameter Connecting Cavity Architecture, Confined Hydrocarbon Pool Species, and MTO Product Selectivity in Small-Pore Cage-Based Zeolites

Ferri-Vicedo, Pau; Li, Chengeng; Paris, Cecilia; Vidal Moya, José Alejandro; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (American Chemical Society, 2019-12-06)

[EN] The catalysts used in the methanol-to-olefins (MTO) reaction are considered dual systems comprising an inorganic zeolite framework and organic compounds hosted inside that act as cocatalysts. The influence of zeolite ...
Design and Synthesis of the Active Site Environment in Zeolite Catalysts for Selectively Manipulating Mechanistic Pathways

Li, Chengeng; Ferri-Vicedo, Pau; Paris, Cecilia; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (American Chemical Society, 2021-07-21)

[EN] By combining kinetics and theoretical calculations, we show here the benefits of going beyond the concept of static localized and defined active sites on solid catalysts, into a system that globally and dynamically ...
Impact of Zeolite Framework Composition and Flexibility on Methanol-To-Olefins Selectivity: Confinement or Diffusion?

Ferri-Vicedo, Pau; Li, Chengeng; Millán-Cabrera, Reisel; Martínez-Triguero, Joaquín; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (John Wiley & Sons, 2020-10-26)

[EN] The methanol-to-olefins reaction catalyzed by small-pore cage-based acid zeolites and zeotypes produces a mixture of short chain olefins, whose selectivity to ethene, propene and butene varies with the cavity architecture ...
NH3-SCR catalysts for heavy-duty diesel vehicles: Preparation of CHA-type zeolites with low-cost templates

Bello-Jurado, Estefanía; Ferri-Vicedo, Pau; Nero, Mathias; Willhammar, Tom; Millet Roig, Isabel; Schütze, Frank W.; van Tendeloo, Leen; Vennestrøm, Peter N.R.; Boronat Zaragoza, Mercedes; Corma Canós, Avelino; Moliner Marin, Manuel (Elsevier, 2022-04)

[EN] Computer-assistance allows selecting the most adequate low-cost organic structure directing agents (OSDAs) for the crystallization of Al-rich CHA-type zeolites. The host-guest stabilization energies of tetraethylammonium ...
Organic-Free Synthesis of Zeolite Y with High Si/Al Ratios: Combined Strategy of In Situ Hydroxyl Radical Assistance and Post-Synthesis Treatment

Wang, Jianyu; Liu, Pusheng; Boronat Zaragoza, Mercedes; Ferri-Vicedo, Pau; Xu, Zhaoguo; Liu, Peng; Shen, Baojian; Wang, Zhendong; Yu, Jihong (John Wiley & Sons, 2020-09-21)

[EN] Zeolite Y, with a high SiO2/Al(2)O(3)ratio (SAR), plays an important role in fluidized catalytic cracking processes. However, in situ synthesis of zeolite Y with high SARs remains a challenge because of kinetic ...
The Limits of the Confinement Effect Associated to Cage Topology on the Control of the MTO Selectivity

Ferri-Vicedo, Pau; Li, Chengeng; Paris, Cecilia; Rodríguez-Fernández, Aida; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (John Wiley & Sons, 2021-03-19)

[EN] The light olefin product distribution of the methanol-to-olefin (MTO) reaction catalyzed by acid zeolites and zeotypes depends on the nature of the entrapped hydrocarbon pool species that act as co-catalysts. The ...