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Colloquium: REACTION KINETICS / INTERNAL COMBUSTION ENGINES Word Count (Method 1): The total word count (exclusive of title page, abstract) is: 5793 words Word Count (Performed from automatic counting function in MS Word plus References/Tables/Equations/ Figures) Abstract: 235 words, not included in word count Equations: 0 words (0 equations, single column) Figures: 1030 words (4 figures with captions) 3 single 50(+10) 132 4 double 52(+10) 273 Captions 116 Total: 6055 words Supplemental Materials: One supplemental material is available. AbstractMulti-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 autoignition 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 threestage 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 autoignition 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.

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Combustion and Flame Rights NOTICE: this is the author's version of a work that was accepted for publication in Combustion and Flame. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Combustion and Flame,

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The prospect of blending gasoline fuel with ethanol is being investigated as a potential way to improve the knock residence of the base gasoline. However, one of the drawbacks is a lack of proper understanding of the reason for the non-linear response of blending ethanol and gasoline. This nonlinearity could be better understood by an improved knowledge of the interactions of these fuel components at a molecular level. This study proposed a highly reduced four-component (toluene/nheptane/iso-octane/ethanol) gasoline surrogate model containing 59 species and 270 reactions. The model was reduced using the direct relation graph with expert knowledge (DRG-X) [1, 2] and isomer lumping method. The computational singular perturbation (CSP) analysis were performed to reduce the potential stiffness issues by accordingly adjusting the Arrhenius coefficients of the proper reactions.The model has been comprehensively validated against wide range of ignition delay times (IDT) and flame speed (FS) measurement data as well as compared against two representative literature models from Liu et al. [3] and Wang et al. [4]. Overall, good agreements were observed between model predictions and experimental data across the entire research octane number (RON), equivalence ratio, pressure and temperature range. In addition, the model has also been coupled with the computational fluid dynamic (CFD) models to simulate the experimental data of constant volume reacting spray of a low-octane gasoline (Haltermann straight-run naphtha), and in-cylinder pressures and temperatures of a high-octane gasoline (Haltermann Gasoline) combustion in a heavy duty compression ignition engine.The coupled model can qualitatively predict the experimentally obtained data with an improved performance for PRF, TPRF, and TPRF-ethanol surrogates.

Turbulent premixed flames at high Karlovitz numbers exhibit highly complex structures in different reactive scalar fields to the extent that the definition of the flame front in an unambiguous manner is not straightforward. This poses a significant challenge in characterizing the observable turbulent flame behaviour such as the flame surface density, turbulent burning velocity, and so on. Turbulent premixed flames are reactive flows involving physical and chemical processes interacting over a wide range of time scales. By recognizing the multi-scale nature of reactive flows, we analyze the topology and structure of two direct numerical simulation cases of turbulent H 2 /air premixed flames, in the thin reaction zone and distributed combustion regimes, using tools derived from the computational singular perturbation (CSP) method and augmented by the tangential stretching rate (TSR) analysis. CSP allows to identify the local time scale decomposition of the multi-scale problem in its slow and fast components, while TSR allows to identify the most energetic time scale during both the explosive and dissipative regime of the reactive flow dynamics together with the identification of the flame front in an unambiguous manner. Before facing the complexity of the turbulent flow regime, we carry out a preliminary analysis of a one-dimensional laminar premixed flame in view of highlighting similarities and differences between laminar and turbulent cases. Subsequently, it is shown that the TSR metric provides a reliable way to identify the turbulent flame topologies.