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Exact solution of catalyst inhibition problems: Application to hydrodesulfurization for clean fuel production

Authors
Journal
Chemical Engineering Science
0009-2509
Publisher
Elsevier
Publication Date
Volume
66
Issue
6
Identifiers
DOI: 10.1016/j.ces.2010.12.003
Keywords
  • Competitive Adsorption
  • Hydrodesulfurization
  • Hydrodenitrogenation
  • Catalyst Inhibition/Poisoning Dynamics
  • Unsupported Metal Sulfides
  • Kinetic Characterization Of Catalysts
Disciplines
  • Mathematics

Abstract

Abstract In catalyst development, a targeted reaction often is inhibited by a strongly adsorbed species. To help develop mitigation means, it is important to quantitatively relate the inhibition dynamics to catalyst properties. The present study develops a combined modeling and experimental approach to address this problem. A general mathematical model consisting of three nonlinear partial differential equations is reduced to quadratures or two first-order ordinary differential equations. The result is a simple parameter estimation method, which is used for kinetic characterization of an unsupported CoMo sulfide catalyst for desulfurizing 4,6-diethyldibenzothiophene with 3-ethylcarbazole as the inhibitor. The active site densities and adsorption-reaction rate constants are determined from modeling of transient response experiments. The unsupported CoMo catalyst has a higher hydrodesulfurization turnover frequency than a commercial sulfided Co z Mo/Al 2O 3–SiO 2 catalyst in the absence of 3-ethylcarbazole. However, the unsupported CoMo sulfide is about three times less resilient to 3-ethylcarbazole inhibition than the Co z Mo/Al 2O 3–SiO 2 catalyst.

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