Micro-macroscopic coupled modeling of batteries and fuel cells: I. Model development

Chao-yang Wang, W. B. Gu, B. Y. Liaw

Research output: Contribution to journalArticle

272 Citations (Scopus)

Abstract

A micro-macroscopic coupled model, aimed at incorporating solid-state physics of electrode materials and interface morphology and chemistry, has been developed for advanced batteries and fuel cells. Electrochemical cells considered consist of three phases: a solid matrix (electrode material or separator), an electrolyte (liquid or solid), and a gas phase. Macroscopic conservation equations are derived separately for each phase using the volume averaging technique and are shown to contain interfacial terms which allow for the incorporation of microscopic physical phenomena such as solidstate diffusion and ohmic drop, as well as interfacial phenomena such as phase transformation, precipitation, and passivation. Constitutive relations for these interfacial terms are developed and linked to the macroscopic conservation equations for species and charge transfer. A number of nonequilibrium effects encountered in high-energy-density and high-power-density power sources are assessed. Finally, conditions for interfacial chemical and electrical equilibrium are explored and their practical implications are discussed. Simplifications of the present model to previous macrohomoge-neous models are examined. In a companion paper, illustrative calculations for nickel-cadmium and nickel-metal hydride batteries are carried out. The micro-macroscopic model can be used to explore material and interfacial properties for desired cell performance.

Original languageEnglish (US)
Pages (from-to)3407-3417
Number of pages11
JournalJournal of the Electrochemical Society
Volume145
Issue number10
DOIs
StatePublished - Jan 1 1998

Fingerprint

fuel cells
electric batteries
Fuel cells
conservation equations
electrode materials
cells
Conservation
nickel
Solid state physics
Electrodes
solid state physics
metal hydrides
Electrochemical cells
electrochemical cells
separators
Nickel
Separators
simplification
Cadmium
Passivation

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Renewable Energy, Sustainability and the Environment
  • Surfaces, Coatings and Films
  • Electrochemistry
  • Materials Chemistry

Cite this

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abstract = "A micro-macroscopic coupled model, aimed at incorporating solid-state physics of electrode materials and interface morphology and chemistry, has been developed for advanced batteries and fuel cells. Electrochemical cells considered consist of three phases: a solid matrix (electrode material or separator), an electrolyte (liquid or solid), and a gas phase. Macroscopic conservation equations are derived separately for each phase using the volume averaging technique and are shown to contain interfacial terms which allow for the incorporation of microscopic physical phenomena such as solidstate diffusion and ohmic drop, as well as interfacial phenomena such as phase transformation, precipitation, and passivation. Constitutive relations for these interfacial terms are developed and linked to the macroscopic conservation equations for species and charge transfer. A number of nonequilibrium effects encountered in high-energy-density and high-power-density power sources are assessed. Finally, conditions for interfacial chemical and electrical equilibrium are explored and their practical implications are discussed. Simplifications of the present model to previous macrohomoge-neous models are examined. In a companion paper, illustrative calculations for nickel-cadmium and nickel-metal hydride batteries are carried out. The micro-macroscopic model can be used to explore material and interfacial properties for desired cell performance.",
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Micro-macroscopic coupled modeling of batteries and fuel cells : I. Model development. / Wang, Chao-yang; Gu, W. B.; Liaw, B. Y.

In: Journal of the Electrochemical Society, Vol. 145, No. 10, 01.01.1998, p. 3407-3417.

Research output: Contribution to journalArticle

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