Revisiting low temperature oxidation chemistry of n-heptane

Benefitting from the rapid development of instrumental analysis methods, intermediate products that were difficult to probe in past can now be measured and quantified complex reaction systems. To understand low temperature reactions interest for combustion applications, reduce deviations between model predictions experimental measurements, constant advancement understanding oxidation process is necessary. This work examines n-heptane jet-stirred reactors at atmospheric pressure, with an initial mole fraction 0.005, equivalence ratio 0.5, a residence time 1s, over range 500-800 K. Reaction analyzed using synchrotron ultra-violet photoionization mass spectrometry, gas chromatography, Fourier-transform infrared spectroscopy. Ignition delay times n-heptane/O2/CO2 mixture compression machine 20 40 bar 600-673 K range. Based on results, comprehensive kinetic was developed by considering sub-mechanisms keto-hydroperoxide, cyclic ether, heptene isomers, third O2 addition reaction, updating rate constants keto-hydroperoxide decomposition second oxygen reactions. The combination mechanism evaluation key enabled effectively predict species concentrations ignition oxidation, providing additional insight into alkane chemistry.