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Electrochemistry and Battery Modeling Fundamentals

Using COMSOL Multiphysics with the add-on Battery Design Module, you can model various electrochemical applications. We begin with a comprehensive overview of both the fundamentals of electrochemistry modeling in the software as well as the various built-in interfaces available for the calculation of current distributions in batteries.

Discussion & Demo: Electrochemistry and Battery Modeling

In this introductory discussion, we outline the general electrochemistry interfaces available in the software and the capabilities provided by each. The Primary Current Distribution interface enables modeling ohmic effects, the Secondary Current Distribution interface additionally models reaction kinetics, and the Tertiary Current Distribution, Nernst-Planck interfaces enables you extend this further by including mass transport. While there are dedicated physics interfaces available for modeling specific types of batteries, these current distribution interfaces can be utilized for many reasons:

• Getting started with battery modeling
• Initializing complex battery models
• Modeling simplified batteries
• Modeling certain cases of batteries, such as those with dilute electrolytes

We then discuss key concepts of electrode reactions, kinetics, and mass transport before demonstrating how to build a simple introductory model of a chlor-alkali cell from start to finish. This is followed with an additional model example of a jelly roll, which is a common setup for a batteries, in which we provide an overview of how the application is defined and the settings used for the model in COMSOL Multiphysics.

• Overview of current distribution interfaces
  • Primary Current Distribution
  • Secondary Current Distribution
  • Tertiary Current Distribution, Nernst-Planck
    • Options for the Charge conservation model
• Overview of electrochemical potential definitions
• Overview of various types of electrochemical cells and electrochemical processes
• Overview of electrode kinetics
• Demo: Chlor-alkali membrane cell
  • Electrode Surface boundary condition
  • Electrode Reaction node settings
• Demo: Jelly roll
  • Overview of model geometry
  • Use of Form Assembly for the model geometry
    • Continuity condition added under the physics interface as a result
• Overview of model setup and how it's defined

Further Learning

For more information on the various current distribution interfaces and their use cases and further practice with modeling electrochemical applications, we recommend the following resources:

• Blog posts
  • "Which Current Distribution Interface Do I Use?"
• Tutorial Models
  • Current Distribution in a Chlor–Alkali Membrane Cell
  • Jelly Roll
• Learning Center
  • "The Usage of Form Union and Form Assembly"