Combustion of n-C3–C6 linear alcohols: An experimental and kinetic modeling study. Part II: Speciation measurements in a jet-stirred reactor, ignition delay time measurements in a rapid compression machine, model validation, and kinetic analysis
Somers, K. P.
Curran, Henry J.
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Pelucchi, M., Namysl, S., Ranzi, E., Rodriguez, A., Rizzo, C., Somers, K. P., Zhang, Y., Herbinet, O., Curran, H. J., Battin-Leclerc, F., Faravelli, T. (2020). Combustion of n-C3–C6 Linear Alcohols: An Experimental and Kinetic Modeling Study. Part II: Speciation Measurements in a Jet-Stirred Reactor, Ignition Delay Time Measurements in a Rapid Compression Machine, Model Validation, and Kinetic Analysis. Energy & Fuels, 34(11), 14708-14725. doi:10.1021/acs.energyfuels.0c02252
This work presents new experimental data for n-C3–C6 alcohol, combustion (n-propanol, n-butanol, n-pentanol, n-hexanol). Speciation measurements have been carried out in a jet-stirred reactor (p = 107 kPa, T = 550–1100 K, φ = 0.5, 1.0, 2.0) for n-butanol, n-pentanol, and n-hexanol. Ignition delay times of ethanol, n-propanol, n-butanol, and n-pentanol/air mixtures were measured in a rapid compression machine at φ = 1.0, p = 10 and 30 bar, and T = 704–935 K. The kinetic subsets for alcohol pyrolysis and oxidation from the CRECK kinetic model have been systematically updated to describe the pyrolysis and high- and low-temperature oxidation of this series of fuels as described in Part I of this work (Pelucchi, M.; Namysl, S.; Ranzi, E. Combustion of n-C3–C6 linear alcohol: an experimental and kinetic modeling study. Part I: reaction classes, rate rules, model lumping and validation. Submitted to Energy and Fuels, 2020). Part II describes in detail the facilities used for this systematic experimental investigation of n-C3–C6 alcohol combustion and presents a complete validation of the kinetic model by means of comparisons with the new data and measurements previously reported in the literature for both pyrolytic and oxidative conditions. Kinetic analyses such as rate of production and sensitivity analyses are used to highlight the governing reaction pathways and reasons for existing deviations, motivating possible further improvements in our chemistry mechanism.