🔥 Acetone Pyrolysis: ReaxFF MD Simulations in Action! 🧪✨

🔥 Acetone Pyrolysis: The study explores how acetone breaks down under high temperatures using ReaxFF molecular dynamics. It tracks bond dissociation, radical formation, and intermediate species generation during pyrolysis. 🧪

💨 Introducing O₂, H₂O, and CO₂ environments helps identify oxidation pathways, flame stability, and inhibition effects on acetone decomposition. 🌬️

⚙️ These insights advance cleaner combustion modeling, guiding fuel design and emission reduction strategies through molecular-level kinetics and reaction mechanism analysis. 🌍✨

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