Inhibition Mechanism of Perfluorohexanone on Cables Combustion: A Reaxff-Md Study

In recent years, cable fire incidents have become increasingly frequent. It is imperative to identify a fire extinguishing agent that possesses both high extinguishing efficiency and excellent insulation properties. C6F120 is a kind of eco-friendly fire extinguishing agent with the potential to be used in cable fires. However, its fire extinguishing mechanism for cable fires is still unknown. The combustion of cable pyrolysis components and the fire extinguishing process of C6F120 is simulated in this paper using ReaxFF-MD. The fire extinguishing mechanism of C6F120 is thoroughly elucidated by analyzing the reactants and the combustion chain reactions involved in the combustion process. The results show that the chain initiation reactions of CH4, C2H2 and H2 primarily consist of self-decomposition reactions and hydrogen abstraction reactions involving H, O and OH. CO participates in a conversion reaction with CO<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> and CHO<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf>. Fluorine produced by C6F120 inhibits the chain initiation reactions. Fluorine-containing free radicals capture O, H and OH free radicals, forming stable products such as CF<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> O and HF, which in turn inhibit the chain transfer reactions. This study provides a theoretical foundation for the application of C6F120 in combating cable live fires.