ModElChem is a simulation software designed to simulate cyclic voltammograms (CV) for commonly encountered electrochemical reaction mechanisms, including both electron transfer and chemical steps. The application includes predefined mechanisms, while allowing users to customize input parameters. It is based on the Poisson-Nernst-Planck equations, which account for both diffusion and ion migration. A supporting electrolyte is also explicitly included in the model. For more information please refer to the associated research paper.

With an intuitive, user-friendly graphical interface, ModElChem makes complex simulations simple to execute. It supports standard three-electrode setups, featuring a disk electrode as the working electrode, making it ideal for studying electrochemical reactions or validating experimental data. Results can be easily exported as text files or images for further analysis and sharing.

In this app, a heterogeneous NMC (Nickel-Manganese-Cobalt) electrode structure is simulated. The cathode structure is based on the experimental microstructure of the NMC cathode. The discharge capacitance, electrochemical impedance spectroscopy (EIS) simulations, and solid mechanics simulation are then made on the full 3D geometry. For more information about the app and how we can customize it for you, please contact us.

This app simulates the temperature in a battery pack during operation. One of the batteries has a short circuit event in the beginning of the simulation. The app can be used to understand how a failure in one of the batteries might affect the temperature in the other cells. Different geometrical and  battery parameters can be defined and changed. For more information about the app and how we can customize it for you, please contact us.