High-pressure oxidation of n-butane

The oxidation of n-butane at elevated pressures has been investigated by experiments in a laminar flow reactor at 100 bar and temperatures of 450–900 K. The onset temperature for reaction increased from 550 K under oxidizing conditions (Φ = 0.02) to 625 K under reducing conditions (Φ = 13). NTC behavior was observed at 600–650 K (Φ = 0.02) and 625–675 K (Φ = 1.0). A detailed chemical kinetic model for the oxidation of n-butane was established. The present model and those suggested in literature were evaluated against the present experimental results and literature data at elevated pressures. None of the tested models could accurately reproduce the NTC behavior of n-butane under stoichiometric conditions of the present study, but all evaluated models could reproduce experimental data from literature with different levels of accuracy.