| A generic micro-macroscopic coupled model, aimed at exploring material and interfacial properties for desired performance, has been developed for advanced batteries and fuel cells. The model accounts for solid-state physics of electrode materials and interface morphology and chemistry as well as thermal-electrochemical interaction. 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 solid state 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 non-equilibrium effects encountered in high energy density and high power density power sources are assessed. Conditions for interfacial chemical and electrical equilibrium are explored and their practical implications are discussed. Simplifications of the present model to previous macro-homogeneous models are examined. Thermal and electrochemical coupled models of dual-insertion batteries including nickel-metal hydride (Ni-MH) and lithium-ion (Li-Ion) batteries are developed based on the micro-macroscopic modeling approach. |
