Oxidation of di-n-propyl ether: Characterization of low-temperature products

The oxidation of di-n-propyl-ether (DPE) was performed in a jet-stirred reactor at 1 and 10 atm, residence times 0.7 s, respectively, initial fuel concentrations 5000 1000 ppm respectively. Atmospheric pressure experiments were used for characterization cool flame products. atm experiment provided KHPs profile vs. temperature mole fraction profiles stable species which obtained through sonic probe sampling, gas chromatography, Fourier transform infrared spectrometry analyses. High resolution mass analyses (HRMS) with syringe direct injection or ultra-high-pressure liquid chromatography coupling to characterize hydroperoxides (C3H8O2, C6H14O3), diols (C6H14O3), ketohydroperoxides (C6H12O4), carboxylic acids, highly oxygenated molecules (C6H12O6, C6H12O8) resulting from up four O2 additions on fuel's radicals. Heated electrospray atmospheric chemical ionizations (HESI APCI) positive negative mode. Whereas the CH2 groups neighboring ether function are most favorable sites H-atom abstraction reactions, speciation indicated that other can react by metathesis forming large pool intermediates. Our kinetic reaction mechanism represents experimental data but need be expended simulating formation newly detected species.