Simulation Data for "Electrochemical Model of Redox-Active Polymer Cathodes for Lithium-Based Batteries Enabling Dual-Ion Operation"

This repository accompanies the manuscript above and contains the raw COMSOL Multiphysics® 6.3 simulation outputs, Python post-processing scripts, processed datasets, and publication-quality figures used throughout the study. The repository documents a continuum electrochemical modeling framework for poly(2,2,6,6-tetramethylpiperidinyloxy methacrylate) (PTMA)-based batteries. It includes datasets associated with cyclic voltammetry (CV), galvanostatic charge–discharge (GCD) simulations, equilibrium potential, species concentration profiles, electric potential distributions, discharge curves, input waveforms, and reaction kinetics. These resources support the results presented in the associated manuscript and are provided to facilitate reproducibility, transparency, and future model development. Unless otherwise noted, all folders contain the original COMSOL simulation output files. Python post-processing scripts, and README documentation are included where available. For some additional variables and non-baseline electrolyte concentrations, only the raw simulation data are provided. If you use the data or code contained in this repository, please cite both the associated manuscript (upon publication) and this repository: Pranada, J., et al. PTMA Half-cell Battery Electrochemical Model Repository. Zenodo. DOI: https://doi.org/10.5281/zenodo.20648308