2002 | H. J. CURRAN, P. GAFFURI, W. J. PITZ and C. K. WESTBROOK
This comprehensive study by Curran et al. presents a detailed chemical kinetic mechanism for the oxidation of iso-octane, tested in various experimental setups including jet-stirred reactors, flow reactors, shock tubes, and a motored engine. The initial pressure ranged from 1 to 45 atm, the temperature from 550 K to 1700 K, the equivalence ratio from 0.3 to 1.5, and nitrogen-argon dilution from 70% to 99%. The mechanism was validated using ignition delay times and species concentrations, demonstrating its broad applicability across different conditions. The study highlights the importance of unimolecular fuel decomposition, H-atom abstraction, alkyl radical decomposition, and chain branching mechanisms at both low and high temperatures. Sensitivity analyses were performed to identify the most critical reactions under various combustion environments. The mechanism includes 3,600 elementary reactions among 860 chemical species, and the authors discuss the rate constants for each reaction class, emphasizing the differences in treatment for different types of radicals and species. The study also addresses the limitations and areas for future improvement, particularly in the oxidation of larger olefins and the role of radical species in low-temperature oxidation. Overall, the detailed kinetic model accurately predicts the experimental results, providing valuable insights into the complex oxidation processes of iso-octane.This comprehensive study by Curran et al. presents a detailed chemical kinetic mechanism for the oxidation of iso-octane, tested in various experimental setups including jet-stirred reactors, flow reactors, shock tubes, and a motored engine. The initial pressure ranged from 1 to 45 atm, the temperature from 550 K to 1700 K, the equivalence ratio from 0.3 to 1.5, and nitrogen-argon dilution from 70% to 99%. The mechanism was validated using ignition delay times and species concentrations, demonstrating its broad applicability across different conditions. The study highlights the importance of unimolecular fuel decomposition, H-atom abstraction, alkyl radical decomposition, and chain branching mechanisms at both low and high temperatures. Sensitivity analyses were performed to identify the most critical reactions under various combustion environments. The mechanism includes 3,600 elementary reactions among 860 chemical species, and the authors discuss the rate constants for each reaction class, emphasizing the differences in treatment for different types of radicals and species. The study also addresses the limitations and areas for future improvement, particularly in the oxidation of larger olefins and the role of radical species in low-temperature oxidation. Overall, the detailed kinetic model accurately predicts the experimental results, providing valuable insights into the complex oxidation processes of iso-octane.