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Prediction and Tuning of the Defects in the Redox Catalysts: Ethylene Oxychlorination

Abstract

The defect plays a significant role in tuning the electronic structure of metal compounds such as oxides, chlorides, sulfides and nitrides, which is frequently used to explain the enhanced catalytic activity. However, the dynamic change of defect relating to the oxidation state change during the reaction is rarely addressed, and it is still not able to be appropriately predicted since the kinetic modeling of the redox reaction involving the in‐situ formation of defects is challenged by the dynamic evolution of the active sites and the complex kinetic phenomena. Here, for the first time, we present a general method to build a new kinetic model of the redox reaction cycle by combined kinetics of reduction‐ and oxidation steps to predict the time and spatially resolved formation of defects of solid catalysts and the reaction products in ethylene oxychlorination on CuCl2/Al2O3 catalyst. The defect concentration can be tuned by manipulating the relative rates of the reduction‐ and oxidation steps.

Category

Academic article

Language

English

Author(s)

  • Endre Fenes
  • Yanying Qi
  • Hongfei Ma
  • Jun Zhu
  • Yalan Wang
  • Kumar Ranjan Rout
  • Terje Fuglerud
  • Marco Piccinini
  • De Chen

Affiliation

  • SINTEF Industry / Process Technology
  • Belgium
  • Norwegian University of Science and Technology
  • INOVYN Norge

Year

2020

Published in

ChemCatChem

ISSN

1867-3880

Volume

13

Page(s)

221 - 226

View this publication at Norwegian Research Information Repository