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author:

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

Indexed by:

EI SCIE

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 degrees 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. (c) 2021 Elsevier Inc. All rights reserved.

Keyword:

Benzofuran CoPd phosphide Delplot analysis Hydrodeoxygenation Rake mechanism Reaction network

Community:

  • [ 1 ] [Oyama, S. Ted]Fuzhou Univ, Sch Chem Engn, Fuzhou 350116, Peoples R China
  • [ 2 ] [Movick, William J.]Univ Tokyo, Dept Chem Syst Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan
  • [ 3 ] [Ghampson, I. Tyrone]Univ Tokyo, Dept Chem Syst Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan
  • [ 4 ] [Oyama, S. Ted]Univ Tokyo, Dept Chem Syst Engn, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1138656, Japan
  • [ 5 ] [Yun, Gwang-Nam]Virginia Tech, Dept Chem Engn, Blacksburg, VA 24061 USA
  • [ 6 ] [Oyama, S. Ted]Virginia Tech, Dept Chem Engn, Blacksburg, VA 24061 USA
  • [ 7 ] [Yun, Gwang-Nam]Korea Res Inst Chem Technol KRICT, Green Carbon Res Ctr, 141 Gajeong Ro, Daejeon 34114, South Korea
  • [ 8 ] [Ghampson, I. Tyrone]Tokyo Metropolitan Univ, Grad Sch Urban Environm Sci, Dept Appl Chem Environm, 1-1 Minami Osawa, Hachioji, Tokyo 1920397, Japan

Reprint 's Address:

  • 大山茂生

    [Oyama, S. Ted]Fuzhou Univ, Sch Chem Engn, Fuzhou 350116, Peoples R China

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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 Discipline: CHEMISTRY;

ESI HC Threshold:117

JCR Journal Grade:1

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 10

SCOPUS Cited Count: 11

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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