The ignition and oxidation of tetrahydropyran: Experiments and kinetic modeling

The ignition and the oxidation of tetrahydropyran have been studied in a single-pulse shock tube under reflected shock wave conditions, and also in a high-pressure jet-stirred reactor (JSR). These experiments cover a wide range of conditions: 2-10 atm, 0.5 ≤ φ ≤ 2.0, 800-1700 K. The ignition delays of tetrahydropyran measured in a shock tube have been used to propose an overall representation for the dependence of ignition delay time on the concentrations of each component in the ignitable gas mixture: τ_all = 10^-13.6 exp (15360/T₅) [C₅H₁₀O]^0.0026 [O₂]^-0.0868 [Ar]^0.0274 (units: s, mole/dm³, K). Concentration profiles of the reactants, stable intermediates and products of the oxidation of tetrahydropyran were measured in a JSR. A numerical model, consisting of a detailed kinetic reaction mechanism with 507 reactions (most of them reversible) of 72 species describes the ignition of tetrahydropyran in reflected shock waves and its oxidation in a jetstirred reactor. A fairly good agreement between the experimental results and the model was observed. Detailed kinetic modeling identified the major reaction paths.