THE IGNITION OF OXETANE IN SHOCK-WAVES AND OXIDATION IN A JET-STIRREDREACTOR - AN EXPERIMENTAL AND KINETIC MODELING STUDY

The ignition and oxidation of oxetane have been studied in a single-pu lse shock tube under reflected shock wave conditions and also in a jet -stirred reactor (JSR). These experiments cover a wide range of condit ions: 1-10 atm, 0.5 less than or equal to phi less than or equal to 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 tim e on the concentrations of each component in the gas as: tau = 10(-13. 5) xp(13389/T-5)[C3H6O](-0.36)[O-2](-0.59)[Ar](0.088) (units: seconds, moles per cubic decimeters, and Kelvin). Concentration profiles of th e reactants, intermediates, and products of the oxidation of oxetane w ere measured in a JSR. A numerical model, consisting of a detailed kin etic reaction mechanism with 423 reactions (most of them reversible) o f 63 species describes the ignition of oxetane in reflected shock wave s and its oxidation in a jet-stirred reactor. Fairly good agreement be tween the observations and the model was obtained. The major reaction paths have been identified through detailed kinetic modeling. (C) 1997 by The Combustion Institute.