Výsledky vyhledávání - "Jeroen Van der Mynsbrugge"

Challenges for the theoretical description of the mechanism and kinetics of reactions catalyzed by zeolites

Autor: Alexis T. Bell, Jeroen Van der Mynsbrugge

Publikováno v: Journal of Catalysis. 404:832-849

Zeolites are widely used as catalysts for the processing of petroleum to produce transportation fuels, the synthesis of a wide variety of chemicals, and for the abatement of automotive emissions. These applications have stimulated an interest in desc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c9940f095605740a2729a7d70af563d
https://doi.org/10.1016/j.jcat.2021.08.048

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Computational modeling predicts the stability of both Pd+ and Pd2+ ion-exchanged into H-CHA

Autor: Martin Head-Gordon, Jeroen Van der Mynsbrugge, Alexis T. Bell

Publikováno v: Journal of Materials Chemistry A. 9:2161-2174

Passive NOx adsorbers (PNA) using Pd/zeolites have emerged as a promising solution for the reduction of cold-start emissions from vehicle exhaust. However, the nature of the active sites and the mechanisms underlying NOx adsorption in Pd/zeolites rem

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https://doi.org/10.1039/d0ta11254b

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Computational Modeling Predicts the Stability of Both Pd

Autor: Jeroen, Van der Mynsbrugge, Martin, Head-Gordon, Alexis T, Bell

Publikováno v: J Mater Chem A Mater

Passive NO(x) adsorbers (PNA) using Pd/zeolites have emerged as a promising solution for the reduction of cold-start emissions from vehicle exhaust. However, the nature of the active sites and the mechanisms underlying NO(x) adsorption in Pd/zeolites

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https://pubmed.ncbi.nlm.nih.gov/33686355

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Computational Modeling Predicts the Stability of Both Pd+ and Pd2+ Ion-Exchanged into H-CHA

Autor: Jeroen Van der Mynsbrugge, Martin Head-Gordon, Alexis T. Bell

Publikováno v: Journal of materials chemistry. A, vol 9, iss 4

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3958a5e7d8f8d79b39c5d5ed892ffbd6
https://doi.org/10.26434/chemrxiv.13237373

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Impact of long-range electrostatic and dispersive interactions on theoretical predictions of adsorption and catalysis in zeolites

Autor: Erum Mansoor, Alexis T. Bell, Martin Head-Gordon, Jeroen Van der Mynsbrugge

Publikováno v: Catalysis Today. 312:51-65

In this paper, we review the importance of long-range zeolite framework interactions in theoretical predictions for a variety of zeolite-catalyzed processes, and we show why such interactions must be determined accurately in order to reproduce experi

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https://doi.org/10.1016/j.cattod.2018.02.007

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Characterization of Isolated Ga3+ Cations in Ga/H-MFI Prepared by Vapor-Phase Exchange of H-MFI Zeolite with GaCl3

Autor: Martin Head-Gordon, Andrew 'Bean' Getsoian, Neelay M. Phadke, Jeroen Van der Mynsbrugge, Erum Mansoor, Alexis T. Bell

Publikováno v: Phadke, NM; Van Der Mynsbrugge, J; Mansoor, E; Getsoian, AB; Head-Gordon, M; & Bell, AT. (2018). Characterization of Isolated Ga3+Cations in Ga/H-MFI Prepared by Vapor-Phase Exchange of H-MFI Zeolite with GaCl3. ACS Catalysis, 8(7), 6106-6126. doi: 10.1021/acscatal.8b01254. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/64x3c5mc

© 2018 American Chemical Society. Ga/H-MFI was prepared by vapor-phase reaction of GaCl3with Brønsted acid O-H groups in dehydrated H-MFI zeolite. The resulting [GaCl2]+cations in the as-exchanged zeolite are treated in H2at 823 K to stoichiometric

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https://doi.org/10.1021/acscatal.8b01254

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Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation of n-Butane in Brønsted Acidic Zeolites

Autor: Amber Janda, Veronique Van Speybroeck, Li-Chiang Lin, Martin Head-Gordon, Jeroen Van der Mynsbrugge, Alexis T. Bell, Shaama Mallikarjun Sharada

Publikováno v: ACS Catalysis. 7:2685-2697

Recent experimental work has shown that variations in the confinement of n-butane at Bronsted acid sites due to changes in zeolite framework structure strongly affect the apparent and intrinsic enthalpy and entropy of activation for cracking and dehy

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https://doi.org/10.1021/acscatal.6b03646

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Response to 'Impact of Zeolite Structure on Entropic-Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study'

Autor: Bess Vlaisavljevich, Amber Janda, Alexis T. Bell, Li-Chiang Lin, Jeroen Van der Mynsbrugge

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany), vol 25, iss 29

This is a response to the paper published by S. A. Kadam, H. Li, R. F. Wormsbacher, A. Travert, Chem. Eur. J. 2018, 24, 5489. Key consistencies between our reported results and those reported in this work are also highlighted.

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https://escholarship.org/uc/item/6kv1h5qt

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Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory

Autor: Martin Head-Gordon, Jeroen Van der Mynsbrugge, Amber Janda, Li-Chiang Lin, Veronique Van Speybroeck, Alexis T. Bell

Publikováno v: ChemPhysChem, vol 19, iss 4
Chemphyschem : a European journal of chemical physics and physical chemistry, vol 19, iss 4
Van der Mynsbrugge, J; Janda, A; Lin, LC; Van Speybroeck, V; Head-Gordon, M; & Bell, AT. (2018). Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory. ChemPhysChem, 19(4), 341-358. doi: 10.1002/cphc.201701084. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/8bt399xt
Van der Mynsbrugge, J; Janda, A; Lin, LC; Van Speybroeck, V; Head-Gordon, M; & Bell, AT. (2018). Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory. ChemPhysChem, 19(4), 338. doi: 10.1002/cphc.201800109. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/4hw1m721
CHEMPHYSCHEM

© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim Acidic zeolites are effective catalysts for the cracking of large hydrocarbon molecules into lower molecular weight products required for transportation fuels. However, the ways in which the zeolite

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https://escholarship.org/uc/item/4hw1m721

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