Although the combustion and pyrolysis kinetics of nitromethane have been widely studied, its detonation kinetics and associated pollutant emission have not been fully explored. Here, the authors use molecular dynamics simulations to study the behaviour of nitromethane under detonation conditions, identifying reaction intermediates and establishing a kinetic model that allows them to predict the underlying mechanism and main detonation products.
- Teng Zhang
- Lang Chen
- Jun Chen
