Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells

Robert B. Barat

Research output: Contribution to journalArticlepeer-review

Abstract

This paper examines NH3 decomposition rates based on a literature-proven six-step elementary catalytic (Ni-BaZrO3) mechanism valid for 1 × 105 Pa pressure in a 650–950 K range. The rates are generated using a hypothetical continuous stirred tank catalytic reactor model running the literature mechanism. Excellent correlations are then obtained by fitting these rates to a simple overall kinetic expression based on an assumed slow step, with the remaining steps in fast pseudo-equilibria. The robust overall simple rate expression is then successfully demonstrated in various packed bed reactor applications. This expression facilitates engineering calculations without the need for a complex, detailed mechanism solver package. The methodology used in this work is independent of the choice of catalyst. It relies on the availability of a previously published and validated elementary reaction mechanism.

Original languageEnglish (US)
Article number6006
JournalMolecules
Volume28
Issue number16
DOIs
StatePublished - Aug 2023

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Chemistry (miscellaneous)
  • Molecular Medicine
  • Pharmaceutical Science
  • Drug Discovery
  • Physical and Theoretical Chemistry
  • Organic Chemistry

Keywords

  • CSTR
  • ammonia
  • catalyst
  • decomposition
  • mechanism
  • packed bed

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