An experimental and kinetic modeling study on the oxidation of 1,3-dioxolane

The modern catalytic or enzymatic advances allow the production of novel biofuel. Among them, 1,3-dioxolane can be produced from formaldehyde and ethylene glycol, both obtained biomass. In this study, oxidation is studied at stoichiometric conditions. ignition delay times 1,3-dioxolane/O2/inert mixtures were measured in a shock tube rapid compression machine pressures 20 to 40 bar temperatures ranging 630 1300 K. pressure profiles recorded show first stage enlightening influence low temperature chemistry combustion. Furthermore, mole fraction stable intermediates during jet-stirred reactor 10 bar. Following these observations, detailed kinetic model was developed with reaction rate coefficients thermochemical data calculated by theoretical calculations estimated analogies suitable molecules. order get an insight into most important pathways brute force sensitivity analysis pathway performed proposed discussed. It became clear that fuel-in-air case for alkylhydroperoxide ring opening beta-scission favored against further alkane-like second addition molecular oxygen, which leads limited negative coefficient.