The ignition of oxetane in shock waves and oxidation in a jet-stirred reactor: An experimental and kinetic modeling study

Abstract

The ignition and oxidation of oxetane have been studied in a single-pulse shock tube under reflected shock wave conditions and also in a jet-stirred reactor (JSR). These experiments cover a wide range of conditions: 1–10 atm, 0.5 ≤ φ ≤ 2.0, 800–1780 K. The ignition delays of oxetane measured in a shock tube have been used to propose an overall dependence of ignition delay time on the concentrations of each component in the gas as: τ = 10 −13.5 exp( 13389 T 5 )[C 3H 6O] −0.36[O 2] −0.59[Ar] 0.088 (units: seconds, moles per cubic decimeters, and Kelvin). Concentration profiles of the reactants, intermediates, and products of the oxidation of oxetane were measured in a JSR. A numerical model, consisting of a detailed kinetic reaction mechanism with 423 reactions (most of them reversible) of 63 species describes the ignition of oxetane in reflected shock waves and its oxidation in a jet-stirred reactor. Fairly good agreement between the observations and the model was obtained. The major reaction paths have been identified through detailed kinetic modeling.