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

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

doi:10.1002/cphc.201800109

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

Abstract

The front cover artwork is provided by Bell and co-workers. The image shows a butane molecule adsorbed at a Brønsted acid site inside the pores of zeolite H-MFI, surrounded by the products of monomolecular cracking and dehydrogenation reactions catalyzed by these sites. Read the full text of the Minireview at 10.1002/cphc.201701084.

Authors:

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Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering; Ghent Univ., Ghent (Belgium). Center for Molecular Modeling
Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering; Stanford Univ., CA (United States). Dept. of Chemical Engineering
The Ohio State Univ., Columbus, OH (United States). William G. Lowrie Dept. of Chemical and Biomolecular Engineering
Ghent Univ., Ghent (Belgium). Center for Molecular Modeling
Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering

Publication Date:: Fri Feb 16 00:00:00 EST 2018

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC); Chevron Energy Techonolgy Company; Ghent University Special Research Fund (BOF)

OSTI Identifier:: 1571096

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Accepted Manuscript

Journal Name:: ChemPhysChem

Additional Journal Information:: Journal Volume: 19; Journal Issue: 4; Journal ID: ISSN 1439-4235

Publisher:: ChemPubSoc Europe

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; activation enthalpy; activation entropy; adsorption; confinement; zeolites

Citation Formats


                    Van der Mynsbrugge, Jeroen, Janda, Amber, Lin, Li-Chiang, Van Speybroeck, Veronique, Head-Gordon, Martin, and Bell, Alexis T. Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory.  United States: N. p., 2018. 
Web.  doi:10.1002/cphc.201800109.

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                    Van der Mynsbrugge, Jeroen, Janda, Amber, Lin, Li-Chiang, Van Speybroeck, Veronique, Head-Gordon, Martin, & Bell, Alexis T. Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory.  United States.  https://doi.org/10.1002/cphc.201800109

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                    Van der Mynsbrugge, Jeroen, Janda, Amber, Lin, Li-Chiang, Van Speybroeck, Veronique, Head-Gordon, Martin, and Bell, Alexis T. Fri .  
"Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory".  United States.  https://doi.org/10.1002/cphc.201800109.  https://www.osti.gov/servlets/purl/1571096.

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@article{osti_1571096,

  title        = {Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory},

  author       = {Van der Mynsbrugge, Jeroen and Janda, Amber and Lin, Li-Chiang and Van Speybroeck, Veronique and Head-Gordon, Martin and Bell, Alexis T.},

  abstractNote = {The front cover artwork is provided by Bell and co-workers. The image shows a butane molecule adsorbed at a Brønsted acid site inside the pores of zeolite H-MFI, surrounded by the products of monomolecular cracking and dehydrogenation reactions catalyzed by these sites. Read the full text of the Minireview at 10.1002/cphc.201701084.},

  doi          = {10.1002/cphc.201800109},

  journal      = {ChemPhysChem},

  number       = 4,

  volume       = 19,

  place        = {United States},

  year         = {Fri Feb 16 00:00:00 EST 2018},

  month        = {Fri Feb 16 00:00:00 EST 2018}

}

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Works referencing / citing this record:

Characterization of Metal‐zeolite Composite Catalysts: Determining the Environment of the Active Phase
journal, April 2020

Juneau, Mitchell; Liu, Renjie; Peng, Yikang
ChemCatChem, Vol. 12, Issue 7
DOI: 10.1002/cctc.201902039

Impact of Zeolite Structure on Entropic-Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study
journal, March 2018

Kadam, Shashikant A.; Li, Haoguang; Wormsbecher, Richard F.
Chemistry - A European Journal, Vol. 24, Issue 21
DOI: 10.1002/chem.201800793

Response to “Impact of Zeolite Structure on Entropic–Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study”
journal, May 2019

Janda, Amber; Lin, Li‐Chiang; Vlaisavljevich, Bess
Chemistry – A European Journal, Vol. 25, Issue 29
DOI: 10.1002/chem.201801785

Kinetic Modeling of Catalytic Olefin Cracking and Methanol-to-Olefins (MTO) over Zeolites: A Review
journal, December 2018

Standl, Sebastian; Hinrichsen, Olaf
Catalysts, Vol. 8, Issue 12
DOI: 10.3390/catal8120626

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