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author:

Movick, William J. (Movick, William J..) [1] | Yun, Gwang-Nam (Yun, Gwang-Nam.) [2] | Tyrone Ghampson, I. (Tyrone Ghampson, I..) [3] | Ted Oyama, S. (Ted Oyama, S..) [4]

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Abstract:

The Delplot method provides a means of analyzing conversion and selectivity data to derive a reaction sequence and has been applied so far to gas-phase or liquid-phase species. This study analyses the applicability of the method for catalytic reactions and considers for the first time adsorbed intermediates. The method is applied to a contact time study of the hydrodeoxygenation (HDO) of benzofuran at 0.5 MPa and 350 °C over a catalyst consisting of bimetallic CoPd phosphide supported on a potassium ion-exchanged ultra-stable Y (KUSY) zeolite. Both simple and detailed reaction networks were derived. The simple networks considered only gas-phase species and were modeled by a first-order sequence of steps, whereas the detailed network took into account adsorbed intermediates and was simulated using a rake mechanism. The networks were compared using F-statistics, which accounted for the differences in the number of fitting parameters. The detailed network gave a better fit to the experimental data because it represented a more realistic description of the transformation. A suggested sequence from the Delplot method was consistent with the simple network but not with the detailed network. The lack of applicability of the Delplot analysis to the network with adsorbates was linked to overly large equilibrium constants, a determination supported by Delplot fitting for a model sequence. This study indicated the inapplicability of the Delplot method in determining reaction sequences that involve adsorbed species with large equilibrium constants for formation. © 2021 Elsevier Inc.

Keyword:

Binary alloys Catalysis Catalyst supports Cobalt alloys Data handling Equilibrium constants Gases Ion exchange Metadata Reaction intermediates Zeolites

Community:

  • [ 1 ] [Movick, William J.]Department of Chemical Systems Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo; 113-8656, Japan
  • [ 2 ] [Yun, Gwang-Nam]Department of Chemical Engineering, Virginia Tech, Blacksburg; VA; 24061, United States
  • [ 3 ] [Yun, Gwang-Nam]Green Carbon Research Center, Korea Research Institute of Chemical Technology (KRICT), 141 Gajeong-ro, Yuseong-gu, Daejeon; 34114, Korea, Republic of
  • [ 4 ] [Tyrone Ghampson, I.]Department of Chemical Systems Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo; 113-8656, Japan
  • [ 5 ] [Tyrone Ghampson, I.]Department of Applied Chemistry for Environment, Graduate School of Urban Environmental Sciences, Tokyo Metropolitan University, 1-1 Minami-osawa, Hachioji, Tokyo; 192-0397, Japan
  • [ 6 ] [Ted Oyama, S.]School of Chemical Engineering, Fuzhou University, Fuzhou; 350116, China
  • [ 7 ] [Ted Oyama, S.]Department of Chemical Systems Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo; 113-8656, Japan
  • [ 8 ] [Ted Oyama, S.]Department of Chemical Engineering, Virginia Tech, Blacksburg; VA; 24061, United States

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Source :

Journal of Catalysis

ISSN: 0021-9517

Year: 2021

Volume: 404

Page: 786-801

8 . 0 4 7

JCR@2021

6 . 5 0 0

JCR@2023

ESI HC Threshold:117

JCR Journal Grade:1

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

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Chinese Cited Count:

30 Days PV: 0

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