Effective macroscopic equations for species transport and reactions in porous catalyst layers

Markus Schmuck, Peter Berg

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A macroscopic model for a porous catalyst layer is derived from a microscopic description that includes the reduction of oxygen in periodically distributed pores filled with liquid water. While specific transport equations are established for a cathode catalyst layer in a PEM fuel cell, the same multi-scale approach would yield governing equations for other types of electrodes which are mathematically analogous. Macroscopic transport characteristics such as porous media (corrector) tensors, Darcy’s law and an effective Butler-Volmer equation, are inherently linked to the dynamics at the microscale and can be computed in a fairly straightforward manner under the assumption of local thermodynamic equilibrium. In the case of periodic and strongly convective flows, we also obtain so-called diffusion-dispersion relations, e.g. Taylor-Aris dispersion.
Original languageEnglish
Pages (from-to)E3323-E3327
Number of pages5
JournalJournal of The Electrochemical Society
Volume161
Issue number8
DOIs
Publication statusPublished - 2014

Keywords

  • Homogenization method
  • Upscaling
  • Catalysts
  • Taylor-Aris dispersion
  • modified Darcy's law
  • Butler-Volmer reactions
  • quasi-compressibility

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