Three-stage heat release in n-heptane auto-ignition

Sarathy, S. Mani; Tingas, Efstathios-Al.; Nasir, Ehson F.; Detogni, Alberta; Wang, Zhandong; Farooq, Aamir; Im, Hong

Abstract

Multi-stage heat release is an important feature of hydrocarbon auto-ignition that influences engine operation. This work presents findings of previously unreported three-stage heat release in the auto-ignition of n-heptane/air mixtures at lean equivalence ratios and high pressures. Detailed homogenous gas-phase chemical kinetic simulations were utilized to identify conditions where two-stage and three-stage heat release exist. Temperature and heat release profiles of lean n-heptane/air auto-ignition display three distinct stages of heat release, which is notably different than two-stage heat release typically reported for stoichiometric fuel/air mixtures. Concentration profiles of key radicals (HO2 and OH) and intermediate/product species (CO and CO2) also display unique behavior in the lean auto-ignition case. Rapid compression machine measurements were performed at a lean equivalence ratio to confirm the existence of three-stage heat release in experiments. Laser diagnostic measurements of CO concentrations in the RCM indicate similar concentration-time profiles as those predicted by kinetic modeling. Computational singular perturbation was then used to identify key reactions and species contributing to explosive time scales at various points of the three-stage ignition process. Comparisons with two-stage ignition at stoichiometric conditions indicate that thermal runaway at the second stage of heat release is inhibited under lean conditions. H + O2 chain branching and CO oxidation reactions drive high-temperature heat release under stoichiometric conditions, but these reactions are suppressed by H, OH, and HO2 radical termination reactions at lean conditions, leading to a distinct third stage of heat release.

Citation

Sarathy, S. M., Tingas, E.-A., Nasir, E. F., Detogni, A., Wang, Z., Farooq, A., & Im, H. (2019). Three-stage heat release in n-heptane auto-ignition. Proceedings of the Combustion Institute, 37(1), 485-492. https://doi.org/10.1016/j.proci.2018.07.075

• Journal Article Type: Article
• Acceptance Date: Jul 16, 2018
• Online Publication Date: Sep 17, 2018
• Publication Date: 2019
• Deposit Date: Jun 26, 2020
• Journal: Proceedings of the Combustion Institute
• Print ISSN: 1540-7489
• Publisher: Elsevier
• Peer Reviewed: Peer Reviewed
• Volume: 37
• Issue: 1
• Pages: 485-492
• DOI: https://doi.org/10.1016/j.proci.2018.07.075
• Keywords: Physical and Theoretical Chemistry; Mechanical Engineering; General Chemical Engineering
• Public URL: http://researchrepository.napier.ac.uk/Output/2672566