Molecular Simulations Probing the Adsorption and Diffusion of Ammonia, Nitrogen, Hydrogen, and Their Mixtures in Bulk MFI Zeolite and MFI Nanosheets at High Temperature and Pressure

Patel, Roshan; Castro, Jorge; Tsapatsis, Michael; Siepmann, J. Ilja

doi:10.1021/acs.jced.2c00086

Molecular Simulations Probing the Adsorption and Diffusion of Ammonia, Nitrogen, Hydrogen, and Their Mixtures in Bulk MFI Zeolite and MFI Nanosheets at High Temperature and Pressure

Journal Article · 03 June 2022 · Journal of Chemical and Engineering Data

DOI:https://doi.org/10.1021/acs.jced.2c00086· OSTI ID:1977903

^[1]; Castro, Jorge ^[2]; ^[3]; ^[1]

Department of Chemical Engineering and Materials Science, University of Minnesota, 421 Washington Avenue SE, Minneapolis, Minnesota 55455-0132, United States; Department of Chemistry and Chemical Theory Center, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States
Department of Chemistry and Chemical Theory Center, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States; Theoretical Chemistry, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, Groningen, 9747 AG, The Netherlands
Department of Chemical and Biomolecular Engineering and Institute for NanoBiotechnology, Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218, United States; Applied Physics Laboratory, Johns Hopkins University, 11100 Johns Hopkins Road, Laurel, Maryland 20723-6099, United States

Not provided.

Research Organization:: Univ. of Minnesota, Minneapolis, MN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0021268

OSTI ID:: 1977903

Journal Information:: Journal of Chemical and Engineering Data, Vol. 67, Issue 7; ISSN 0021-9568

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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