Catalyst Design for Selective Hydrogenation of Benzene to Cyclohexene through Density Functional Theory and Microkinetic Modeling

He, Haoran; Meyer, Randall J.; Rioux, Robert M.; Janik, Michael J.

doi:10.1021/acscatal.1c02630

Catalyst Design for Selective Hydrogenation of Benzene to Cyclohexene through Density Functional Theory and Microkinetic Modeling

Journal Article · Thu Sep 09 00:00:00 EDT 2021 · ACS Catalysis

DOI:https://doi.org/10.1021/acscatal.1c02630· OSTI ID:1978299

He, Haoran ^[1]; ^[2]; ^[3]; ^[4]

Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States; OSTI
ExxonMobil Research and Engineering, Annandale, New Jersey 08801, United States
Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States; Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16801, United States
Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States

Not provided.

Research Organization:: Pennsylvania State Univ., University Park, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0020147

OSTI ID:: 1978299

Journal Information:: ACS Catalysis, Journal Name: ACS Catalysis Journal Issue: 19 Vol. 11; ISSN 2155-5435

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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