Experimental and Detailed Kinetic Modeling Study of the Oxidation of 1-Propanol in a Pressurized Jet-Stirred Reactor (JSR) and a Combustion Bomb

New experimental results were obtained to better characterize and understand the oxidation and combustion of 1-propanol, which is a renewable alcohol usable as an alternative to petrol-derived gasoline. A pressurized jet-stirred reactor (JSR) was used to measure concentration profiles of stable species (reactants, intermediates, and final products) at 10 atm, over a range of temperatures (<i>T</i> = 770–1190 K) and equivalence ratios (φ = 0.35–2). A combustion bomb was used to measure burning velocities of 1-propanol/air mixtures at pressures of <i>P</i> = 1–10 bar and <i>T</i> = 423 K, over a range of equivalence ratios (0.7 ≤ φ ≤ 1.4) and at 1 bar for temperatures in the range of 323–473 K. The effects of total pressure and temperature on burning velocity were determined under stoichiometric conditions. The oxidation of 1-propanol under these conditions was modeled using a detailed chemical kinetic scheme taken from the literature and a kinetic scheme of ours was extended to the oxidation of 1-propanol. The computational results agreed reasonably well with the present set of experimental data, but the prediction of some intermediates and the burning velocities of 1-propanol/air mixtures under fuel-rich conditions could only be represented using the mechanism proposed here. Reaction path and sensitivity analyses were used to rationalize the results