Computational workflow for modeling amino acid formation in Titan’s Selk crater melt pools. Combines Gibbs free energy estimation, polynomial thermodynamic fits, and Cantera equilibrium simulations to study prebiotic chemistry relevant to astrobiology and the Dragonfly mission. Reproducibility dataset archived on Zenodo.
Follow the instructions in the Workflow_Instructions.PDF to begin and then refer to main paper/SI for details https://iopscience.iop.org/article/10.3847/PSJ/ae1c18/
data/ Gibbs energy datasets used in thermodynamic calculations
notebooks/ Jupyter notebooks for polynomial fitting and equilibrium modeling
inputs/ YAML templates for Cantera equilibrium simulations
scripts/ Gibbs free energy estimation tools
If you use this workflow or any part of the dataset in your research, please cite:
Madan, I. (2025). Dataset for "Prebiotic Chemistry Insights for Dragonfly: Thermodynamics of amino acid synthesis in Selk crater on Titan" [Data set]. Zenodo. https://doi.org/10.5281/zenodo.17445312