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Three-dimensional multiphysics coupling numerical simulation of a proton conductor solid oxide fuel cell based on

Qiangqiang Li1, Xiaoxia Sun1, Lili Shen1

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This study models proton conductor solid oxide fuel cells, revealing how humidity and temperature impact conductivity. Higher humidity generally boosts hydroxide ion conductivity, while affecting polaron conductivity differently based on location.

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Area of Science:

  • Solid Oxide Fuel Cell technology
  • Electrochemical energy conversion
  • Materials science

Background:

  • Electrolyte conductivity in proton conductor solid oxide fuel cells (SOFCs) is influenced by temperature, humidity, and oxygen partial pressure.
  • Spatial inhomogeneity of gas partial pressure and temperature necessitates advanced 3D modeling for accurate electrochemical performance prediction.

Purpose of the Study:

  • To develop and utilize a multi-field coupled 3D model for SOFCs.
  • To investigate the interplay of heat/mass transfer, defect transport, and reaction kinetics on cell performance.
  • To analyze the impact of humidity, temperature, and gas composition on ionic and electronic conductivity.

Main Methods:

  • Construction of a 3D multi-field coupled model.
  • Incorporation of macroscopic heat and mass transfer phenomena.
  • Integration of microscopic defect transport and defect reaction kinetics.

Main Results:

  • Ribs on thin cathodes significantly influence oxygen partial pressure and defect concentration.
  • Hydroxide ion concentration increases with humidity and along the flow direction.
  • O-site small polaron concentration varies with location (increases on anode, decreases on cathode side).
  • Hydroxide ion conductivity is sensitive to anode humidity; O-site small polaron conductivity is sensitive to cathode humidity.
  • Oxygen vacancy contribution to conductivity is negligible.
  • Total conductivity is higher on the cathode side, dominated by hydroxide ions (anode) and co-dominated by hydroxide ions and polarons (cathode).
  • Increased temperature significantly enhances partial and total conductivity.
  • Hydrogen depletion leads to a sharp increase in conductivity downstream.

Conclusions:

  • The developed 3D model accurately captures complex multi-field interactions in SOFCs.
  • Humidity is a critical factor affecting charge carrier concentrations and conductivity, with distinct effects on different charge carriers and locations.
  • Temperature plays a crucial role in enhancing overall cell conductivity.
  • Understanding these dependencies is key for optimizing SOFC design and operation, particularly under varying conditions like hydrogen depletion.