Sensitivity Analysis of Gas-Phase Aromatic Chemistry in TMC-1
Description
This repository contains a number of files related to the gas-phase kinetic sensitivity analysis presented and described in Byrne et al. 2024 (in prep). The raw abundances as a function of time for all analyses are contained in 'Sensitivity_raw.hdf5.zip', while the sensitivities are located in 'Sensitivity_data.hdf5.zip'. 'Sens_Walkthrough.ipynb' is a jupyter notebook that explains how to examine this data using functions defined in 'ranking.py' and 'plotting.py'. This notebook also requires the two reactions.in files. Finally, the input files used to generate the data along with the NAUTILUS modeling code can be found in 'Model-Inputs.zip'. These inputs primarily come from the development branch of cixue/BATMAN with minor changes described in a README file.
Files
Model-Inputs.zip
Files
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Additional details
Related works
- References
- Dataset: https://github.com/cixue/BATMAN/tree/development (URL)
Funding
- U.S. National Science Foundation
- Graduate Research Fellowship Program (GRFP) 2141064