High-pressure oxidation of propane

The oxidation properties of propane have been investigated by conducting experiments in a laminar flow reactor at a pressure of 100 bar and temperatures of 500–900 K. The onset temperature for reaction increased from 625 K under oxidizing conditions to 725 K under reducing conditions. A chemical kinetic model for high pressure propane oxidation was established, with particular emphasis on the peroxide chemistry.

The rate constant for the important abstraction reaction C3H8 + HO2 was calculated theoretically. Modeling predictions were in satisfactory agreement with the present data as well as shock tube data (6–61 bar) and flame speeds (1–5 bar) from literature.