Exploratory computational astrochemistry study examines gas-phase networks, highlighting complex transitions.
An independent, exploratory computational astrochemistry study of gas-phase ion-molecular networks in the interstellar medium. This archive contains: 1. Unified manuscript (PDF + DOCX) All three parts combined into a single document with figures. 2. Figures archive (ZIP) 11 figures from all three parts in PNG/JPG format. 3. Notebooks archive (ZIP) Three Jupyter notebooks used for all calculations: Gas_Phase_Networks.ipynb (Part 1, 59-reaction reduced network) RATE22_Full_Network_Final.ipynb (Part 2, full RATE22, 8258 reactions) Part3_Gas_Grain_Freezeout.ipynb (Part 3, gas-grain freeze-out model) Summary of parts: Reduced network (59 reactions, 47 species) — two solver-resistant complexity transitions identified and analyzed. Full RATE22 gas-phase validation (8258 reactions, 737 species) — transitions not preserved; smooth compositional reorganization observed. Gas-grain freeze-out extension (8693 reactions, 1035 species) — OH identified as most ζ-sensitive species via CR desorption mechanism. This work was developed using AI and is intended for honest exploratory research. Errors in assumptions, formulations, calculations or interpretations may remain. Comments, criticism, and independent reviews are welcome: publicgmailfor@gmail.com
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Oleksandr Olegovich Kurmanchuk (2026) studied this question.
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